1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide

C11H15ClN4O2 — CID 136970799

IUPAC1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H15ClN4O2/c1-15(2)11(18)7-4-3-5-16(7)9-8(12)10(17)14-6-13-9/h6-7H,3-5H2,1-2H3,(H,13,14,17)
InChIKeyLHKIUFYQLNBFKN-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.48
Rot. Bonds2

About 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide

1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 136970799) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID136970799
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H15ClN4O2/c1-15(2)11(18)7-4-3-5-16(7)9-8(12)10(17)14-6-13-9/h6-7H,3-5H2,1-2H3,(H,13,14,17)
InChIKeyLHKIUFYQLNBFKN-UHFFFAOYSA-N
XLogP0.48
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide 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-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 136713572
5-chloro-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731502
5-chloro-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780970
5-chloro-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780977
5-chloro-4-[ethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780984
5-chloro-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780992
4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136781011
5-chloro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781021
5-chloro-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136864275
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 136954300
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 136957433
1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 136957436

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide (CID 136970799) is 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1c1nc[nH]c(=O)c1Cl.
What is the InChIKey of 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is LHKIUFYQLNBFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-15(2)11(18)7-4-3-5-16(7)9-8(12)10(17)14-6-13-9/h6-7H,3-5H2,1-2H3,(H,13,14,17).
What are the key properties of 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide?
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 270.72 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 136970799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).