N-(5-chloro-2-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine

C16H19ClN4O — CID 112912329

IUPACN-(5-chloro-2-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1cc(Nc2cc(Cl)ccc2C)nc(N2CCOCC2)n1
InChIInChI=1S/C16H19ClN4O/c1-11-3-4-13(17)10-14(11)19-15-9-12(2)18-16(20-15)21-5-7-22-8-6-21/h3-4,9-10H,5-8H2,1-2H3,(H,18,19,20)
InChIKeyKCOXPZLPKLRPEC-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.33
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine

N-(5-chloro-2-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 112912329) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID112912329
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC NameN-(5-chloro-2-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1cc(Nc2cc(Cl)ccc2C)nc(N2CCOCC2)n1
InChIInChI=1S/C16H19ClN4O/c1-11-3-4-13(17)10-14(11)19-15-9-12(2)18-16(20-15)21-5-7-22-8-6-21/h3-4,9-10H,5-8H2,1-2H3,(H,18,19,20)
InChIKeyKCOXPZLPKLRPEC-UHFFFAOYSA-N
XLogP3.33
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
CID 45136694
N-(5-chloro-2-methylphenyl)-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112923927
N-(2-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912314
2-(azepan-1-yl)-N-(2,4-dichlorophenyl)-6-methylpyrimidin-4-amine
CID 112926760
N-(3,5-dimethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912311
2-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 112923632
2,4-dichloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 53047913
N-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)quinolin-8-amine
CID 112912374
N-(2-methylphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935530
N-(2,5-dichlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324340
6-methyl-N-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112922247
N-(2,5-dimethylphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
CID 30298428

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(5-chloro-2-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine (CID 112912329) is N-(5-chloro-2-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine is Cc1cc(Nc2cc(Cl)ccc2C)nc(N2CCOCC2)n1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is KCOXPZLPKLRPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-11-3-4-13(17)10-14(11)19-15-9-12(2)18-16(20-15)21-5-7-22-8-6-21/h3-4,9-10H,5-8H2,1-2H3,(H,18,19,20).
What are the key properties of N-(5-chloro-2-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
N-(5-chloro-2-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 318.81 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 112912329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).