4-(Aminomethyl)-2-methylpyrimidine - CAS 22454-79-1

Catalog:	BB017630
Product Name:	4-(Aminomethyl)-2-methylpyrimidine
CAS:	22454-79-1
Synonyms:	(2-methyl-4-pyrimidinyl)methanamine; (2-methylpyrimidin-4-yl)methanamine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(2-methylpyrimidin-4-yl)methanamine
Description:	4-(Aminomethyl)-2-methylpyrimidine (CAS# 22454-79-1) is a useful compound in medicinal chemistry in the study of potent and selective GSK-3 inhibitors.
Molecular Weight:	123.16
Molecular Formula:	C6H9N3
Canonical SMILES:	CC1=NC=CC(=N1)CN
InChI:	InChI=1S/C6H9N3/c1-5-8-3-2-6(4-7)9-5/h2-3H,4,7H2,1H3
InChI Key:	MMQVVRGYBJLXIL-UHFFFAOYSA-N
LogP:	0.94400

Publication Number	Title	Priority Date
EP-3699179-A1	Pyrazolyl-containing tricyclic derivative, preparation method therefor and use thereof	20171019
US-2020247815-A1	Pyrazolyl-containing tricyclic derivative, preparation method therefor and use thereof	20171019
CA-3008393-A1	Hetero-1,5,6,7-tetrahydro-4h-indol-4-ones	20151216
EP-3390401-A1	Hetero-1,5,6,7-tetrahydro-4h-indol-4-ones	20151216
JP-2019504826-A	Hetero-1,5,6,7-tetrahydro-4H-indol-4-ones	20151216

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Related Functional Groups

Amines and Anilines

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1550-50-1]
1,1,2,2-Tetrafluoro-N,N-dimethylethanamine
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[1082066-00-9]
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde

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:	84.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	123.079647300
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	123.079647300
Rotatable Bond Count:	1
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5