1-[3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-methylpropan-1-one

C24H27N5O — CID 110240073

IUPAC1-[3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCC(c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)C1
InChIInChI=1S/C24H27N5O/c1-17(2)24(30)29-14-6-7-19(16-29)23-27-21(18-10-12-25-13-11-18)15-22(28-23)26-20-8-4-3-5-9-20/h3-5,8-13,15,17,19H,6-7,14,16H2,1-2H3,(H,26,27,28)
InChIKeyQPORHXIYHUEERZ-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.64
Rot. Bonds5

About 1-[3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-methylpropan-1-one

1-[3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 110240073) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID110240073
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name1-[3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCC(c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)C1
InChIInChI=1S/C24H27N5O/c1-17(2)24(30)29-14-6-7-19(16-29)23-27-21(18-10-12-25-13-11-18)15-22(28-23)26-20-8-4-3-5-9-20/h3-5,8-13,15,17,19H,6-7,14,16H2,1-2H3,(H,26,27,28)
InChIKeyQPORHXIYHUEERZ-UHFFFAOYSA-N
XLogP4.64
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-methylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[(3S)-3-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 92552975
[(3S)-3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-cyclobutylmethanone
CID 92575090
[3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 110240084
[4-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 92575277
(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
[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-cyclopentylmethanone
CID 110240107
N-[2-[3-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 110240112
1-[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-ethylbutan-1-one
CID 110240248
1-[(2R)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 92553004
[(3R)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 92575112
[(3R)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 92575229

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-methylpropan-1-one (CID 110240073) is 1-[3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCCC(c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)C1.
What is the InChIKey of 1-[3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is QPORHXIYHUEERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-17(2)24(30)29-14-6-7-19(16-29)23-27-21(18-10-12-25-13-11-18)15-22(28-23)26-20-8-4-3-5-9-20/h3-5,8-13,15,17,19H,6-7,14,16H2,1-2H3,(H,26,27,28).
What are the key properties of 1-[3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-methylpropan-1-one?
1-[3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 401.51 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 110240073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).