4-Amino-2-(tert-butyl)pyrimidine - CAS 114362-20-8

Catalog:	BB003391
Product Name:	4-Amino-2-(tert-butyl)pyrimidine
CAS:	114362-20-8
Synonyms:	2-tert-butyl-4-pyrimidinamine; 2-tert-butylpyrimidin-4-amine

Technical Data

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Computed Properties

IUPAC Name:	2-tert-butylpyrimidin-4-amine
Description:	4-Amino-2-(tert-butyl)pyrimidine (CAS# 114362-20-8) is used as a reactant in the preparation of pyrimidines via cyclization, ring transformation, aromatization and substituent modification.
Molecular Weight:	151.21
Molecular Formula:	C8H13N3
Canonical SMILES:	CC(C)(C)C1=NC=CC(=N1)N
InChI:	InChI=1S/C8H13N3/c1-8(2,3)7-10-5-4-6(9)11-7/h4-5H,1-3H3,(H2,9,10,11)
InChI Key:	RRFVDJXZQAAJFH-UHFFFAOYSA-N
Storage:	Keep in dark place, Sealed in dry, 2-8 °C
LogP:	1.28640

Publication Number	Title	Priority Date
WO-2021146370-A1	Map4k1 inhibitors	20200115
WO-2020210380-A1	Heterocyclic compounds and uses thereof	20190409
EP-3578562-A1	L-valinate amide benzoxaborole derivatives for the treatment of parasitic diseases	20160512
US-10653681-B2	Analgesic compounds	20160316
US-2019111031-A1	Analgesic compounds	20160316

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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:	128
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	151.110947427
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	151.110947427
Rotatable Bond Count:	1
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6