(4R)-4-[2-(1-benzoylpiperidin-4-yl)-6-(methylamino)pyrimidin-4-yl]-1-(2-methoxyethyl)pyrrolidin-2-one

C24H31N5O3 — CID 95802308

IUPAC(4R)-4-[2-(1-benzoylpiperidin-4-yl)-6-(methylamino)pyrimidin-4-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCNc1cc([C@@H]2CC(=O)N(CCOC)C2)nc(C2CCN(C(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C24H31N5O3/c1-25-21-15-20(19-14-22(30)29(16-19)12-13-32-2)26-23(27-21)17-8-10-28(11-9-17)24(31)18-6-4-3-5-7-18/h3-7,15,17,19H,8-14,16H2,1-2H3,(H,25,26,27)/t19-/m1/s1
InChIKeyNMQRIPGREXCNKY-LJQANCHMSA-N
MW437.54 g/mol
LogP2.50
Rot. Bonds7

About (4R)-4-[2-(1-benzoylpiperidin-4-yl)-6-(methylamino)pyrimidin-4-yl]-1-(2-methoxyethyl)pyrrolidin-2-one

(4R)-4-[2-(1-benzoylpiperidin-4-yl)-6-(methylamino)pyrimidin-4-yl]-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 95802308) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is (4R)-4-[2-(1-benzoylpiperidin-4-yl)-6-(methylamino)pyrimidin-4-yl]-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[2-(1-benzoylpiperidin-4-yl)-6-(methylamino)pyrimidin-4-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID95802308
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name(4R)-4-[2-(1-benzoylpiperidin-4-yl)-6-(methylamino)pyrimidin-4-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCNc1cc([C@@H]2CC(=O)N(CCOC)C2)nc(C2CCN(C(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C24H31N5O3/c1-25-21-15-20(19-14-22(30)29(16-19)12-13-32-2)26-23(27-21)17-8-10-28(11-9-17)24(31)18-6-4-3-5-7-18/h3-7,15,17,19H,8-14,16H2,1-2H3,(H,25,26,27)/t19-/m1/s1
InChIKeyNMQRIPGREXCNKY-LJQANCHMSA-N
XLogP2.50
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyethyl)-4-[6-(methylamino)-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrimidin-4-yl]pyrrolidin-2-one
CID 110218953
(4R)-4-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(methylamino)pyrimidin-4-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 95802304
(4S)-4-[2-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-6-(methylamino)pyrimidin-4-yl]-1-methylpyrrolidin-2-one
CID 92619325
4-[2-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-6-(methylamino)pyrimidin-4-yl]-1-methylpyrrolidin-2-one
CID 110250901
4-[2-[1-(benzenesulfonyl)piperidin-4-yl]-6-(methylamino)pyrimidin-4-yl]-1-methylpyrrolidin-2-one
CID 110250874
(4S)-4-[2-(1-acetylpiperidin-4-yl)-6-(methylamino)pyrimidin-4-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 92619299
4-[2-(1-acetylpiperidin-4-yl)-6-(methylamino)pyrimidin-4-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 110250887
N-[[4-(1-benzyl-5-oxopyrrolidin-3-yl)-6-(methylamino)pyrimidin-2-yl]methyl]-2-methoxy-N-methylacetamide
CID 110244104
(4R)-4-[2-(1-butanoylpiperidin-4-yl)-6-(methylamino)pyrimidin-4-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 92619191
5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46973392
N-(2-methoxyethyl)-2-[(3R)-1-[2-(methylamino)pyridine-4-carbonyl]pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92637916
[4-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 92575277

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[2-(1-benzoylpiperidin-4-yl)-6-(methylamino)pyrimidin-4-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[2-(1-benzoylpiperidin-4-yl)-6-(methylamino)pyrimidin-4-yl]-1-(2-methoxyethyl)pyrrolidin-2-one (CID 95802308) is (4R)-4-[2-(1-benzoylpiperidin-4-yl)-6-(methylamino)pyrimidin-4-yl]-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[2-(1-benzoylpiperidin-4-yl)-6-(methylamino)pyrimidin-4-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[2-(1-benzoylpiperidin-4-yl)-6-(methylamino)pyrimidin-4-yl]-1-(2-methoxyethyl)pyrrolidin-2-one is CNc1cc([C@@H]2CC(=O)N(CCOC)C2)nc(C2CCN(C(=O)c3ccccc3)CC2)n1.
What is the InChIKey of (4R)-4-[2-(1-benzoylpiperidin-4-yl)-6-(methylamino)pyrimidin-4-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is NMQRIPGREXCNKY-LJQANCHMSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-25-21-15-20(19-14-22(30)29(16-19)12-13-32-2)26-23(27-21)17-8-10-28(11-9-17)24(31)18-6-4-3-5-7-18/h3-7,15,17,19H,8-14,16H2,1-2H3,(H,25,26,27)/t19-/m1/s1.
What are the key properties of (4R)-4-[2-(1-benzoylpiperidin-4-yl)-6-(methylamino)pyrimidin-4-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?
(4R)-4-[2-(1-benzoylpiperidin-4-yl)-6-(methylamino)pyrimidin-4-yl]-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 437.54 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[2-(1-benzoylpiperidin-4-yl)-6-(methylamino)pyrimidin-4-yl]-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 95802308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).