2-[(2S)-1-benzoyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide

C18H20N4O2 — CID 95848209

IUPAC2-[(2S)-1-benzoyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(N)=O)nc([C@]2(C)CCCN2C(=O)c2ccccc2)n1
InChIInChI=1S/C18H20N4O2/c1-12-11-14(15(19)23)21-17(20-12)18(2)9-6-10-22(18)16(24)13-7-4-3-5-8-13/h3-5,7-8,11H,6,9-10H2,1-2H3,(H2,19,23)/t18-/m0/s1
InChIKeyCNBNRZPVCDFBRW-SFHVURJKSA-N
MW324.38 g/mol
LogP2.04
Rot. Bonds3

About 2-[(2S)-1-benzoyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide

2-[(2S)-1-benzoyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide (PubChem CID 95848209) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[(2S)-1-benzoyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(2S)-1-benzoyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide
PubChem CID95848209
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-[(2S)-1-benzoyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(N)=O)nc([C@]2(C)CCCN2C(=O)c2ccccc2)n1
InChIInChI=1S/C18H20N4O2/c1-12-11-14(15(19)23)21-17(20-12)18(2)9-6-10-22(18)16(24)13-7-4-3-5-8-13/h3-5,7-8,11H,6,9-10H2,1-2H3,(H2,19,23)/t18-/m0/s1
InChIKeyCNBNRZPVCDFBRW-SFHVURJKSA-N
XLogP2.04
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-phenylmethanone
CID 124954186
6-methyl-2-[2-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide
CID 110272192
6-methyl-2-[2-methyl-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide
CID 110272207
2-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide
CID 125007591
[(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 124941950
(2,3-difluorophenyl)-[(2S)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone
CID 125021365
1-[(2S)-2-(4-amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-2-phenoxyethanone
CID 95848343
[(2S)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 124955168
(4-fluorophenyl)-[(2S)-2-methyl-2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 95848313
(2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone
CID 127245522
1-[(2S)-2-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 125010972
N,6-dimethyl-2-[(2R)-2-methyl-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-4-carboxamide
CID 95848262

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-benzoyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-[(2S)-1-benzoyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide (CID 95848209) is 2-[(2S)-1-benzoyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(2S)-1-benzoyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[(2S)-1-benzoyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide is Cc1cc(C(N)=O)nc([C@]2(C)CCCN2C(=O)c2ccccc2)n1.
What is the InChIKey of 2-[(2S)-1-benzoyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is CNBNRZPVCDFBRW-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12-11-14(15(19)23)21-17(20-12)18(2)9-6-10-22(18)16(24)13-7-4-3-5-8-13/h3-5,7-8,11H,6,9-10H2,1-2H3,(H2,19,23)/t18-/m0/s1.
What are the key properties of 2-[(2S)-1-benzoyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide?
2-[(2S)-1-benzoyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-benzoyl-2-methylpyrrolidin-2-yl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 95848209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).