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

C15H16N4O — CID 112854815

IUPAC1-[4-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2cc(NC3CC3)ncn2)cc1
InChIInChI=1S/C15H16N4O/c1-10(20)11-2-4-12(5-3-11)18-14-8-15(17-9-16-14)19-13-6-7-13/h2-5,8-9,13H,6-7H2,1H3,(H2,16,17,18,19)
InChIKeyPSMLGLIVLDUCSD-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.00
Rot. Bonds5

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

1-[4-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]phenyl]ethanone (PubChem CID 112854815) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[4-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]phenyl]ethanone
PubChem CID112854815
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name1-[4-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2cc(NC3CC3)ncn2)cc1
InChIInChI=1S/C15H16N4O/c1-10(20)11-2-4-12(5-3-11)18-14-8-15(17-9-16-14)19-13-6-7-13/h2-5,8-9,13H,6-7H2,1H3,(H2,16,17,18,19)
InChIKeyPSMLGLIVLDUCSD-UHFFFAOYSA-N
XLogP3.00
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[4-[[6-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866665
methyl 4-[[6-(cyclohexylamino)pyrimidin-4-yl]amino]benzoate
CID 112856307
1-[3-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112863902
1-[4-[[6-(cycloheptylamino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112876052
methyl 4-[[6-(4-acetylanilino)pyrimidin-4-yl]amino]benzoate
CID 112866670
1-[4-[[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112880079
1-[4-[[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866685
4-N-cyclopropyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 67695034
1-[4-[[4-(cyclopentylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112909732
1-[4-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112865975
methyl 4-[[6-(4-methoxycarbonylanilino)pyrimidin-4-yl]amino]benzoate
CID 112866836
methyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112867586

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[4-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]phenyl]ethanone (CID 112854815) is 1-[4-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]phenyl]ethanone is CC(=O)c1ccc(Nc2cc(NC3CC3)ncn2)cc1.
What is the InChIKey of 1-[4-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]phenyl]ethanone?
The InChIKey is PSMLGLIVLDUCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10(20)11-2-4-12(5-3-11)18-14-8-15(17-9-16-14)19-13-6-7-13/h2-5,8-9,13H,6-7H2,1H3,(H2,16,17,18,19).
What are the key properties of 1-[4-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]phenyl]ethanone?
1-[4-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]phenyl]ethanone has a molecular weight of 268.32 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]phenyl]ethanone is sourced from PubChem (CID 112854815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).