5-Amino-2-cyclopropylpyrimidine - CAS 1152519-69-1

Catalog:	BB003516
Product Name:	5-Amino-2-cyclopropylpyrimidine
CAS:	1152519-69-1
Synonyms:	2-cyclopropyl-5-pyrimidinamine; 2-cyclopropylpyrimidin-5-amine

Technical Data

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Computed Properties

IUPAC Name:	2-cyclopropylpyrimidin-5-amine
Description:	5-Amino-2-cyclopropylpyrimidine (CAS# 1152519-69-1) is a useful research chemical.
Molecular Weight:	135.17
Molecular Formula:	C7H9N3
Canonical SMILES:	C1CC1C2=NC=C(C=N2)N
InChI:	InChI=1S/C7H9N3/c8-6-3-9-7(10-4-6)5-1-2-5/h3-5H,1-2,8H2
InChI Key:	OCOLSCGNKGPGKC-UHFFFAOYSA-N
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
LogP:	1.51740

Publication Number	Title	Priority Date
WO-2019166824-A1	Oxadiazolylthiophene derivatives useful as histone deacetylase inhibitors	20180301
CN-112004814-A	Oxadiazolyl thiophene derivatives useful as inhibitors of histone deacetylase	20180301
EP-3759106-A1	Oxadiazolylthiophene derivatives useful as histone deacetylase inhibitors	20180301
US-2021038607-A1	Oxadiazolylthiophene derivatives useful as histone deacetylase inhibitors	20180301
CA-2954088-A1	6-amino-5,6,7,8-tetrahydronaphthalen-2-yl or 3-aminochroman-7-yl derivatives as taar modulators	20140730

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	114
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	135.079647300
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	135.079647300
Rotatable Bond Count:	1
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1