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

C15H17ClN4O — CID 122282579

IUPACN-(2-chloro-4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-amine
SMILESCc1ccc(Nc2cc(N3CCOCC3)ncn2)c(Cl)c1
InChIInChI=1S/C15H17ClN4O/c1-11-2-3-13(12(16)8-11)19-14-9-15(18-10-17-14)20-4-6-21-7-5-20/h2-3,8-10H,4-7H2,1H3,(H,17,18,19)
InChIKeyKVXSLYLAMYOTGC-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.02
Rot. Bonds3

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

N-(2-chloro-4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 122282579) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID122282579
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC NameN-(2-chloro-4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-amine
SMILESCc1ccc(Nc2cc(N3CCOCC3)ncn2)c(Cl)c1
InChIInChI=1S/C15H17ClN4O/c1-11-2-3-13(12(16)8-11)19-14-9-15(18-10-17-14)20-4-6-21-7-5-20/h2-3,8-10H,4-7H2,1H3,(H,17,18,19)
InChIKeyKVXSLYLAMYOTGC-UHFFFAOYSA-N
XLogP3.02
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921210
N-(4-methyl-2-pyridinyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 122282546
6-morpholin-4-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112857101
N-(4-bromo-2-fluorophenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 122282510
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-amine
CID 112857141
N-(3,5-dichlorophenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857173
N-(2-methoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857120
N-(2,5-dimethoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857127
N-(2-chloro-4-methylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80919851
N-(2-chloro-4,6-dimethylphenyl)-6-piperidin-1-ylpyrimidin-4-amine
CID 112856110
1-[4-[6-(2,4-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858448
6-(azepan-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 112864664

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(2-chloro-4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-amine (CID 122282579) is N-(2-chloro-4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-amine is Cc1ccc(Nc2cc(N3CCOCC3)ncn2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is KVXSLYLAMYOTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-11-2-3-13(12(16)8-11)19-14-9-15(18-10-17-14)20-4-6-21-7-5-20/h2-3,8-10H,4-7H2,1H3,(H,17,18,19).
What are the key properties of N-(2-chloro-4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-amine?
N-(2-chloro-4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 304.78 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 122282579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).