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

C9H12N4O2 — CID 136957436

IUPAC1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C9H12N4O2/c10-9(15)6-2-1-3-13(6)7-4-8(14)12-5-11-7/h4-6H,1-3H2,(H2,10,15)(H,11,12,14)
InChIKeyOJDIBUUGWALIMZ-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.78
Rot. Bonds2

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

1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 136957436) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide
PubChem CID136957436
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C9H12N4O2/c10-9(15)6-2-1-3-13(6)7-4-8(14)12-5-11-7/h4-6H,1-3H2,(H2,10,15)(H,11,12,14)
InChIKeyOJDIBUUGWALIMZ-UHFFFAOYSA-N
XLogP-0.78
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-2,5,6,6a,7,8-hexahydropyrrolo[1,2-f]pteridine-1,9-dione
CID 135991969
2-acetamido-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 142147356
N-(2-(4-methyl-6-oxopyrimidin-1(6H)-yl)ethyl)-5-oxopyrrolidine-2-carboxamide
CID 121119275
3-[(5-Oxopyrrolidin-2-yl)methyl]pyrimidin-4-one
CID 130162707
6-Chloro-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one
CID 130517274
6-(3-Aminopyrrolidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136562357
4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136672455
4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679999
4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731508
4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780972
4-[ethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780986
4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780994

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide (CID 136957436) is 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1c1cc(=O)[nH]cn1.
What is the InChIKey of 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is OJDIBUUGWALIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c10-9(15)6-2-1-3-13(6)7-4-8(14)12-5-11-7/h4-6H,1-3H2,(H2,10,15)(H,11,12,14).
What are the key properties of 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide?
1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 208.22 g/mol, XLogP of -0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 136957436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).