2-Amino-4-phenylpyrimidine - CAS 2305-87-5

Name: 2-Amino-4-phenylpyrimidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB017896
Product Name:	2-Amino-4-phenylpyrimidine
CAS:	2305-87-5
Synonyms:	4-phenylpyrimidin-2-amine

Technical Data

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Literatures

Computed Properties

IUPAC Name:	4-phenylpyrimidin-2-amine
Description:	2-Amino-4-phenylpyrimidine (CAS# 2305-87-5) is a useful research chemical.
Molecular Weight:	171.20
Molecular Formula:	C10H9N3
Canonical SMILES:	C1=CC=C(C=C1)C2=NC(=NC=C2)N
InChI:	InChI=1S/C10H9N3/c11-10-12-7-6-9(13-10)8-4-2-1-3-5-8/h1-7H,(H2,11,12,13)
InChI Key:	DMEGQEWPMXDRMO-UHFFFAOYSA-N
Boiling Point:	404.2 °C at 760 mmHg
Density:	1.193 g/cm³
MDL:	MFCD00094706
LogP:	2.30700

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Related Functional Groups

Amines and Anilines

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1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride

GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021127190-A1	Irak degraders and uses thereof	20191217
WO-2021127278-A1	Irak degraders and uses thereof	20191217
WO-2021127283-A2	Irak degraders and uses thereof	20191217
WO-2021119159-A1	Irak degraders and uses thereof	20191210
WO-2020191227-A1	Methods for controlling prostaglandin-mediated biological processes	20190320

PMID	Publication Date	Title	Journal
21875802	20111001	Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design	Bioorganic & medicinal chemistry letters
20407438	20100511	Novel pyrrolo-1,5-benzoxazepine compounds display significant activity against resistant chronic myeloid leukaemia cells in vitro, in ex vivo patient samples and in vivo	British journal of cancer

Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.079647300
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	171.079647300
Rotatable Bond Count:	1
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5