5-chloro-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one

C9H11ClN4O2 — CID 136864275

IUPAC5-chloro-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCN1CCC(Nc2nc[nH]c(=O)c2Cl)C1=O
InChIInChI=1S/C9H11ClN4O2/c1-14-3-2-5(9(14)16)13-7-6(10)8(15)12-4-11-7/h4-5H,2-3H2,1H3,(H2,11,12,13,15)
InChIKeyIZAWWUSXYDCDIZ-UHFFFAOYSA-N
MW242.67 g/mol
LogP0.07
Rot. Bonds2

About 5-chloro-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one

5-chloro-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136864275) has the molecular formula C9H11ClN4O2 and a molecular weight of 242.67 g/mol. Its IUPAC name is 5-chloro-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136864275
Molecular FormulaC9H11ClN4O2
Molecular Weight242.67 g/mol
Exact Mass242.06
IUPAC Name5-chloro-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCN1CCC(Nc2nc[nH]c(=O)c2Cl)C1=O
InChIInChI=1S/C9H11ClN4O2/c1-14-3-2-5(9(14)16)13-7-6(10)8(15)12-4-11-7/h4-5H,2-3H2,1H3,(H2,11,12,13,15)
InChIKeyIZAWWUSXYDCDIZ-UHFFFAOYSA-N
XLogP0.07
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.67
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 113604347
5-Amino-6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one
CID 114582511
5-Amino-6-chloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 114582714
4-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide
CID 114582719
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-propylpropanamide
CID 114582928
5,6-Dichloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one
CID 114582939
N-butan-2-yl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
CID 114582973
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 114582976
N-butyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
CID 114583015
N-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
CID 114583065
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylpropanamide
CID 114583120
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114583154

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136864275) is 5-chloro-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is CN1CCC(Nc2nc[nH]c(=O)c2Cl)C1=O.
What is the InChIKey of 5-chloro-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is IZAWWUSXYDCDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O2/c1-14-3-2-5(9(14)16)13-7-6(10)8(15)12-4-11-7/h4-5H,2-3H2,1H3,(H2,11,12,13,15).
What are the key properties of 5-chloro-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
5-chloro-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 242.67 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136864275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).