[2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone

C24H25N5O — CID 110240191

IUPAC[2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone
SMILESO=C(C1CCC1)N1CCCC1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1
InChIInChI=1S/C24H25N5O/c30-24(17-7-4-8-17)29-14-6-12-21(29)23-27-20(18-9-5-13-25-16-18)15-22(28-23)26-19-10-2-1-3-11-19/h1-3,5,9-11,13,15-17,21H,4,6-8,12,14H2,(H,26,27,28)
InChIKeyPIVIVKGHOYPGNM-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.75
Rot. Bonds5

About [2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone

[2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone (PubChem CID 110240191) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is [2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone
PubChem CID110240191
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name[2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone
SMILESO=C(C1CCC1)N1CCCC1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1
InChIInChI=1S/C24H25N5O/c30-24(17-7-4-8-17)29-14-6-12-21(29)23-27-20(18-9-5-13-25-16-18)15-22(28-23)26-19-10-2-1-3-11-19/h1-3,5,9-11,13,15-17,21H,4,6-8,12,14H2,(H,26,27,28)
InChIKeyPIVIVKGHOYPGNM-UHFFFAOYSA-N
XLogP4.75
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 92553004
[(2R)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 92575211
[(2S)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 92575064
2-(1-methylpiperidin-2-yl)-N-phenyl-6-pyridin-3-ylpyrimidin-4-amine
CID 110240122
[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-cyclopentylmethanone
CID 110240107
[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 110240145
[(2R)-2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)pyrrolidin-1-yl]-[(1R)-cyclohex-3-en-1-yl]methanone
CID 92575173
[(3R)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 92575229
cyclopentyl-[(2S)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 92568808
cyclopropyl-[(2S)-2-[4-(3-fluoroanilino)-6-pyridin-4-ylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 92568798
(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

Frequently Asked Questions

What is the IUPAC name of [2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone?
The IUPAC name of [2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone (CID 110240191) is [2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone is O=C(C1CCC1)N1CCCC1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1.
What is the InChIKey of [2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone?
The InChIKey is PIVIVKGHOYPGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c30-24(17-7-4-8-17)29-14-6-12-21(29)23-27-20(18-9-5-13-25-16-18)15-22(28-23)26-19-10-2-1-3-11-19/h1-3,5,9-11,13,15-17,21H,4,6-8,12,14H2,(H,26,27,28).
What are the key properties of [2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone?
[2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone has a molecular weight of 399.50 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 110240191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).