1-[3-[[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone

C19H24N4O — CID 112910457

IUPAC1-[3-[[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2nc(C)cc(NC3CCCCC3)n2)c1
InChIInChI=1S/C19H24N4O/c1-13-11-18(21-16-8-4-3-5-9-16)23-19(20-13)22-17-10-6-7-15(12-17)14(2)24/h6-7,10-12,16H,3-5,8-9H2,1-2H3,(H2,20,21,22,23)
InChIKeySSMRHPZERALXHT-UHFFFAOYSA-N
MW324.43 g/mol
LogP4.48
Rot. Bonds5

About 1-[3-[[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone

1-[3-[[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone (PubChem CID 112910457) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[3-[[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
PubChem CID112910457
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-[3-[[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2nc(C)cc(NC3CCCCC3)n2)c1
InChIInChI=1S/C19H24N4O/c1-13-11-18(21-16-8-4-3-5-9-16)23-19(20-13)22-17-10-6-7-15(12-17)14(2)24/h6-7,10-12,16H,3-5,8-9H2,1-2H3,(H2,20,21,22,23)
InChIKeySSMRHPZERALXHT-UHFFFAOYSA-N
XLogP4.48
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[4-(cyclopentylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112909732
2-(3-acetylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide
CID 109332978
4-N-cycloheptyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112924879
N-[3-[[2-(cyclopentylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112909921
1-[3-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112863902
1-[3-[[4-(tert-butylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112924692
1-[3-[[2-(3-bromoanilino)-6-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112931375
1-[3-[[2-(3,5-dimethylanilino)-6-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112928333
1-[3-[[4-(3,5-dichloroanilino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112931419
1-[3-[[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112880078
4-N-cycloheptyl-2-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112924888
1-[3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]ethanone
CID 112910099

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[3-[[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone (CID 112910457) is 1-[3-[[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone is CC(=O)c1cccc(Nc2nc(C)cc(NC3CCCCC3)n2)c1.
What is the InChIKey of 1-[3-[[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone?
The InChIKey is SSMRHPZERALXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-13-11-18(21-16-8-4-3-5-9-16)23-19(20-13)22-17-10-6-7-15(12-17)14(2)24/h6-7,10-12,16H,3-5,8-9H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 1-[3-[[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone?
1-[3-[[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone has a molecular weight of 324.43 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone is sourced from PubChem (CID 112910457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).