6-methyl-2-(methylamino)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]pyrimidine-4-carboxamide

C17H19N5O2 — CID 100678434

IUPAC6-methyl-2-(methylamino)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]pyrimidine-4-carboxamide
SMILESCNc1nc(C)cc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)n1
InChIInChI=1S/C17H19N5O2/c1-11-10-14(21-17(18-2)19-11)15(23)20-13-8-9-22(16(13)24)12-6-4-3-5-7-12/h3-7,10,13H,8-9H2,1-2H3,(H,20,23)(H,18,19,21)/t13-/m1/s1
InChIKeyYOVXTLCWJOTQSV-CYBMUJFWSA-N
MW325.37 g/mol
LogP1.36
Rot. Bonds4

About 6-methyl-2-(methylamino)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]pyrimidine-4-carboxamide

6-methyl-2-(methylamino)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]pyrimidine-4-carboxamide (PubChem CID 100678434) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 6-methyl-2-(methylamino)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-(methylamino)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]pyrimidine-4-carboxamide
PubChem CID100678434
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name6-methyl-2-(methylamino)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]pyrimidine-4-carboxamide
SMILESCNc1nc(C)cc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)n1
InChIInChI=1S/C17H19N5O2/c1-11-10-14(21-17(18-2)19-11)15(23)20-13-8-9-22(16(13)24)12-6-4-3-5-7-12/h3-7,10,13H,8-9H2,1-2H3,(H,20,23)(H,18,19,21)/t13-/m1/s1
InChIKeyYOVXTLCWJOTQSV-CYBMUJFWSA-N
XLogP1.36
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234364
3-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 164634853
4-methoxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234404
3-fluoro-4-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234414
3,4-dimethoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 136524569
4-(dimethylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 71839219
(2R)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]-2-phenylbutanamide
CID 95234374
5-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]furan-2-carboxamide
CID 95234398
6-methyl-2-(methylamino)-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]pyrimidine-4-carboxamide
CID 124734406
1-(2,4-dimethylphenyl)-3-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95269169
2-methyl-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234327
1-cyclopentyl-3-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95051231

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(methylamino)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-(methylamino)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]pyrimidine-4-carboxamide (CID 100678434) is 6-methyl-2-(methylamino)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-(methylamino)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-(methylamino)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]pyrimidine-4-carboxamide is CNc1nc(C)cc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)n1.
What is the InChIKey of 6-methyl-2-(methylamino)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]pyrimidine-4-carboxamide?
The InChIKey is YOVXTLCWJOTQSV-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11-10-14(21-17(18-2)19-11)15(23)20-13-8-9-22(16(13)24)12-6-4-3-5-7-12/h3-7,10,13H,8-9H2,1-2H3,(H,20,23)(H,18,19,21)/t13-/m1/s1.
What are the key properties of 6-methyl-2-(methylamino)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]pyrimidine-4-carboxamide?
6-methyl-2-(methylamino)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]pyrimidine-4-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(methylamino)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 100678434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).