1-[3-[[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone

C23H24N4O — CID 112880078

IUPAC1-[3-[[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2cc(NC3CCCC3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H24N4O/c1-16(28)18-10-7-13-20(14-18)25-22-15-21(24-19-11-5-6-12-19)26-23(27-22)17-8-3-2-4-9-17/h2-4,7-10,13-15,19H,5-6,11-12H2,1H3,(H2,24,25,26,27)
InChIKeyPGXUUVQQYFDXHP-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.44
Rot. Bonds6

About 1-[3-[[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone

1-[3-[[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone (PubChem CID 112880078) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[3-[[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone
PubChem CID112880078
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name1-[3-[[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2cc(NC3CCCC3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H24N4O/c1-16(28)18-10-7-13-20(14-18)25-22-15-21(24-19-11-5-6-12-19)26-23(27-22)17-8-3-2-4-9-17/h2-4,7-10,13-15,19H,5-6,11-12H2,1H3,(H2,24,25,26,27)
InChIKeyPGXUUVQQYFDXHP-UHFFFAOYSA-N
XLogP5.44
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112880079
1-[3-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112863902
1-[3-[[6-(azepan-1-yl)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112881688
1-[3-[[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112910457
4-N-cyclopropyl-2-phenyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112879538
1-[4-[[6-(cycloheptylamino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112876052
4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 112559826
methyl 3-[[2-phenyl-6-(propan-2-ylamino)pyrimidin-4-yl]amino]benzoate
CID 112879396
6-(3-acetylanilino)-N-butan-2-yl-2-phenylpyrimidine-4-carboxamide
CID 112852608
N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852793
4-N-cyclopropyl-6-N-(4-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112879528
1-[3-(4-anilinopyrimidin-2-yl)phenyl]ethanone
CID 117089370

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[3-[[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone (CID 112880078) is 1-[3-[[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone is CC(=O)c1cccc(Nc2cc(NC3CCCC3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 1-[3-[[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone?
The InChIKey is PGXUUVQQYFDXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-16(28)18-10-7-13-20(14-18)25-22-15-21(24-19-11-5-6-12-19)26-23(27-22)17-8-3-2-4-9-17/h2-4,7-10,13-15,19H,5-6,11-12H2,1H3,(H2,24,25,26,27).
What are the key properties of 1-[3-[[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone?
1-[3-[[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone has a molecular weight of 372.47 g/mol, XLogP of 5.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone is sourced from PubChem (CID 112880078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).