1-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]butan-1-one

C24H27N5O — CID 110240135

IUPAC1-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCCC1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1
InChIInChI=1S/C24H27N5O/c1-2-8-23(30)29-16-7-6-11-21(29)24-27-20(18-12-14-25-15-13-18)17-22(28-24)26-19-9-4-3-5-10-19/h3-5,9-10,12-15,17,21H,2,6-8,11,16H2,1H3,(H,26,27,28)
InChIKeyFZZOJVPHVYOMDW-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.14
Rot. Bonds6

About 1-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]butan-1-one

1-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]butan-1-one (PubChem CID 110240135) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]butan-1-one
PubChem CID110240135
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name1-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCCC1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1
InChIInChI=1S/C24H27N5O/c1-2-8-23(30)29-16-7-6-11-21(29)24-27-20(18-12-14-25-15-13-18)17-22(28-24)26-19-9-4-3-5-10-19/h3-5,9-10,12-15,17,21H,2,6-8,11,16H2,1H3,(H,26,27,28)
InChIKeyFZZOJVPHVYOMDW-UHFFFAOYSA-N
XLogP5.14
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

1-[(2S)-2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]butan-1-one
CID 92586514
1-[2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 110240146
[(2R)-2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidin-1-yl]-[(1R)-cyclohex-3-en-1-yl]methanone
CID 92575173
(2S)-1-[(2R)-2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 92551198
(2R)-1-[(2R)-2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 92551197
[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 110240145
1-[(2R)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 92585248
1-[2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 110240182
(5S)-5-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 110240225
cyclopentyl-[(2S)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 92568808
[2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 110240191
cyclopropyl-[(2S)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 92568798

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]butan-1-one (CID 110240135) is 1-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]butan-1-one is CCCC(=O)N1CCCCC1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1.
What is the InChIKey of 1-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]butan-1-one?
The InChIKey is FZZOJVPHVYOMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-2-8-23(30)29-16-7-6-11-21(29)24-27-20(18-12-14-25-15-13-18)17-22(28-24)26-19-9-4-3-5-10-19/h3-5,9-10,12-15,17,21H,2,6-8,11,16H2,1H3,(H,26,27,28).
What are the key properties of 1-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]butan-1-one?
1-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]butan-1-one has a molecular weight of 401.51 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 110240135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).