1-[3-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]phenyl]ethanone

C19H24N4O — CID 112863902

IUPAC1-[3-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2cc(NC3CCCCCC3)ncn2)c1
InChIInChI=1S/C19H24N4O/c1-14(24)15-7-6-10-17(11-15)23-19-12-18(20-13-21-19)22-16-8-4-2-3-5-9-16/h6-7,10-13,16H,2-5,8-9H2,1H3,(H2,20,21,22,23)
InChIKeyIPFFFAFEZJSXDE-UHFFFAOYSA-N
MW324.43 g/mol
LogP4.56
Rot. Bonds5

About 1-[3-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]phenyl]ethanone

1-[3-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]phenyl]ethanone (PubChem CID 112863902) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[3-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]phenyl]ethanone
PubChem CID112863902
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-[3-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2cc(NC3CCCCCC3)ncn2)c1
InChIInChI=1S/C19H24N4O/c1-14(24)15-7-6-10-17(11-15)23-19-12-18(20-13-21-19)22-16-8-4-2-3-5-9-16/h6-7,10-13,16H,2-5,8-9H2,1H3,(H2,20,21,22,23)
InChIKeyIPFFFAFEZJSXDE-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]phenyl]ethanone with MolForge

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Related Compounds

1-[3-[[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112880078
1-[4-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112854815
1-[3-[[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112910457
4-N-cyclohexyl-6-N-(3-fluorophenyl)pyrimidine-4,6-diamine
CID 112856315
1-[3-[[6-(4-chloroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112865840
methyl 4-[[6-(cyclohexylamino)pyrimidin-4-yl]amino]benzoate
CID 112856307
1-[3-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866236
1-[3-[[6-(3-methylbutylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112864038
5-(3-acetylanilino)-N-cyclohexylpyrazine-2-carboxamide
CID 109274767
1-[3-[[6-(2-fluoroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112865643
4-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid
CID 140978166
1-[6-(3-acetylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192798

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[3-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]phenyl]ethanone (CID 112863902) is 1-[3-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]phenyl]ethanone is CC(=O)c1cccc(Nc2cc(NC3CCCCCC3)ncn2)c1.
What is the InChIKey of 1-[3-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]phenyl]ethanone?
The InChIKey is IPFFFAFEZJSXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14(24)15-7-6-10-17(11-15)23-19-12-18(20-13-21-19)22-16-8-4-2-3-5-9-16/h6-7,10-13,16H,2-5,8-9H2,1H3,(H2,20,21,22,23).
What are the key properties of 1-[3-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]phenyl]ethanone?
1-[3-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]phenyl]ethanone has a molecular weight of 324.43 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]phenyl]ethanone is sourced from PubChem (CID 112863902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).