2-Amino-4-chloro-5-fluoropyrimidine - CAS 1683-75-6

Catalog:	BB012465
Product Name:	2-Amino-4-chloro-5-fluoropyrimidine
CAS:	1683-75-6
Synonyms:	4-chloro-5-fluoro-2-pyrimidinamine; 4-chloro-5-fluoropyrimidin-2-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	4-chloro-5-fluoropyrimidin-2-amine
Description:	2-Amino-4-chloro-5-fluoropyrimidine (CAS# 1683-75-6) is a useful research chemical.
Molecular Weight:	147.54
Molecular Formula:	C4H3ClFN3
Canonical SMILES:	C1=C(C(=NC(=N1)N)Cl)F
InChI:	InChI=1S/C4H3ClFN3/c5-3-2(6)1-8-4(7)9-3/h1H,(H2,7,8,9)
InChI Key:	JJSZXRDRSOBWAD-UHFFFAOYSA-N
Boiling Point:	321.7 °C at 760 mmHg
Density:	1.564 g/cm³
LogP:	1.43250

Publication Number	Title	Priority Date
WO-2019169112-A1	Inhibition of olig2 activity	20180228
US-2020407329-A1	Inhibition of olig2 activity	20180228
AU-2018352699-A1	Pyrimidine TBK/IKKE inhibitor compounds and uses thereof	20171017
CA-3078579-A1	Pyrimidine tbk/ikk.epsilon. inhibitor compounds and uses thereof	20171017
CN-111247135-A	Pyrimidine T-K/I-K-P inhibitor compound and application thereof	20171017

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Complexity:	102
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.999953
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	146.999953
Rotatable Bond Count:	0
Topological Polar Surface Area:	51.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9