N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylphenyl)pyrimidin-4-amine;hydrochloride

C19H19Cl2N3O — CID 52986012

IUPACN-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylphenyl)pyrimidin-4-amine;hydrochloride
SMILESCOc1ccc(Cl)cc1Nc1cc(-c2ccc(C)cc2)nc(C)n1.Cl
InChIInChI=1S/C19H18ClN3O.ClH/c1-12-4-6-14(7-5-12)16-11-19(22-13(2)21-16)23-17-10-15(20)8-9-18(17)24-3;/h4-11H,1-3H3,(H,21,22,23);1H
InChIKeyMFZRYTKMBYXIQU-UHFFFAOYSA-N
MW376.29 g/mol
LogP5.59
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylphenyl)pyrimidin-4-amine;hydrochloride

N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylphenyl)pyrimidin-4-amine;hydrochloride (PubChem CID 52986012) has the molecular formula C19H19Cl2N3O and a molecular weight of 376.29 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylphenyl)pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylphenyl)pyrimidin-4-amine;hydrochloride
PubChem CID52986012
Molecular FormulaC19H19Cl2N3O
Molecular Weight376.29 g/mol
Exact Mass375.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylphenyl)pyrimidin-4-amine;hydrochloride
SMILESCOc1ccc(Cl)cc1Nc1cc(-c2ccc(C)cc2)nc(C)n1.Cl
InChIInChI=1S/C19H18ClN3O.ClH/c1-12-4-6-14(7-5-12)16-11-19(22-13(2)21-16)23-17-10-15(20)8-9-18(17)24-3;/h4-11H,1-3H3,(H,21,22,23);1H
InChIKeyMFZRYTKMBYXIQU-UHFFFAOYSA-N
XLogP5.59
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.29
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(5-chloro-2-methoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80762755
4-N-(5-chloro-2-methoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876894
6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopropyl-2-methylpyrimidine-4,6-diamine
CID 112867563
6-(5-chloro-2-methoxyanilino)-N-(2,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112848881
N-(5-chloro-2-methoxyphenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848921
4-N-(5-chloro-2-methoxyphenyl)-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877874
4-N-(5-chloro-2-methoxyphenyl)-2-methyl-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868148
N-(2,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 20899006
4-N-(2-methoxy-5-methylphenyl)-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112877102
6-N-(5-chloro-2-methoxyphenyl)-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine
CID 112876038
6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclohexyl-2-methylpyrimidine-4,6-diamine
CID 112869079
N-(5-chloro-2-methoxyphenyl)-4,6-dimethylquinolin-2-amine
CID 740915

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylphenyl)pyrimidin-4-amine;hydrochloride?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylphenyl)pyrimidin-4-amine;hydrochloride (CID 52986012) is N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylphenyl)pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylphenyl)pyrimidin-4-amine;hydrochloride?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylphenyl)pyrimidin-4-amine;hydrochloride is COc1ccc(Cl)cc1Nc1cc(-c2ccc(C)cc2)nc(C)n1.Cl.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylphenyl)pyrimidin-4-amine;hydrochloride?
The InChIKey is MFZRYTKMBYXIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O.ClH/c1-12-4-6-14(7-5-12)16-11-19(22-13(2)21-16)23-17-10-15(20)8-9-18(17)24-3;/h4-11H,1-3H3,(H,21,22,23);1H.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylphenyl)pyrimidin-4-amine;hydrochloride?
N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylphenyl)pyrimidin-4-amine;hydrochloride has a molecular weight of 376.29 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylphenyl)pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 52986012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).