1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide

C9H12N4O2 — CID 136794233

IUPAC1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C9H12N4O2/c10-9(15)6-1-2-13(4-6)7-3-8(14)12-5-11-7/h3,5-6H,1-2,4H2,(H2,10,15)(H,11,12,14)
InChIKeyRFPJTTFTPSDIIN-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.92
Rot. Bonds2

About 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide

1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 136794233) 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-3-carboxamide.

Molecular Properties

Compound Name1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
PubChem CID136794233
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C9H12N4O2/c10-9(15)6-1-2-13(4-6)7-3-8(14)12-5-11-7/h3,5-6H,1-2,4H2,(H2,10,15)(H,11,12,14)
InChIKeyRFPJTTFTPSDIIN-UHFFFAOYSA-N
XLogP-0.92
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 ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Aminoisocytosine-N-methylpyrrolidin-2-one (1/1)
CID 139062115
4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1H-pyrimidin-6-one
CID 136956173
3-fluoro-N,N-dimethyl-1-(1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 137915956
4-(3,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136454963
4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136957359
3-[(5-Oxopyrrolidin-3-yl)methyl]pyrimidin-4-one
CID 130927734
6-Chloro-3-[(5-oxopyrrolidin-3-yl)methyl]pyrimidin-4-one
CID 131172147
4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136677210
4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679999
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136689236
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136794216
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136794217

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide (CID 136794233) is 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide is NC(=O)C1CCN(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is RFPJTTFTPSDIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c10-9(15)6-1-2-13(4-6)7-3-8(14)12-5-11-7/h3,5-6H,1-2,4H2,(H2,10,15)(H,11,12,14).
What are the key properties of 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide?
1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 208.22 g/mol, XLogP of -0.92, 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-3-carboxamide is sourced from PubChem (CID 136794233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).