1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide

C10H14N4O2 — CID 136957434

IUPAC1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESCc1nc(N2CCCC2C(N)=O)cc(=O)[nH]1
InChIInChI=1S/C10H14N4O2/c1-6-12-8(5-9(15)13-6)14-4-2-3-7(14)10(11)16/h5,7H,2-4H2,1H3,(H2,11,16)(H,12,13,15)
InChIKeyWRQVCANVIZTFMR-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.47
Rot. Bonds2

About 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide

1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 136957434) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide
PubChem CID136957434
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESCc1nc(N2CCCC2C(N)=O)cc(=O)[nH]1
InChIInChI=1S/C10H14N4O2/c1-6-12-8(5-9(15)13-6)14-4-2-3-7(14)10(11)16/h5,7H,2-4H2,1H3,(H2,11,16)(H,12,13,15)
InChIKeyWRQVCANVIZTFMR-UHFFFAOYSA-N
XLogP-0.47
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 140657439
2-acetamido-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 142147356
(6S)-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 171655027
1-acetyl-N-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]-L-prolinamide
CID 136662249
2-methyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731503
2-ethyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731509
2-methyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780968
2-ethyl-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780975
2-ethyl-4-[ethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780982
4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136780983
2-ethyl-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780990
4-[butyl(pyrrolidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136781007

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide (CID 136957434) is 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide is Cc1nc(N2CCCC2C(N)=O)cc(=O)[nH]1.
What is the InChIKey of 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is WRQVCANVIZTFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-6-12-8(5-9(15)13-6)14-4-2-3-7(14)10(11)16/h5,7H,2-4H2,1H3,(H2,11,16)(H,12,13,15).
What are the key properties of 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide?
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 222.25 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 136957434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).