4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperazine-2-carboxamide

C12H14ClN7O — CID 141003241

IUPAC4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperazine-2-carboxamide
SMILESNC(=O)C1CN(c2cc(Cl)nc(-n3ccnc3)n2)CCN1
InChIInChI=1S/C12H14ClN7O/c13-9-5-10(18-12(17-9)20-3-1-15-7-20)19-4-2-16-8(6-19)11(14)21/h1,3,5,7-8,16H,2,4,6H2,(H2,14,21)
InChIKeyCIVRGHZUDIUKBA-UHFFFAOYSA-N
MW307.75 g/mol
LogP-0.42
Rot. Bonds3

About 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperazine-2-carboxamide

4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperazine-2-carboxamide (PubChem CID 141003241) has the molecular formula C12H14ClN7O and a molecular weight of 307.75 g/mol. Its IUPAC name is 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperazine-2-carboxamide.

Molecular Properties

Compound Name4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperazine-2-carboxamide
PubChem CID141003241
Molecular FormulaC12H14ClN7O
Molecular Weight307.75 g/mol
Exact Mass307.09
IUPAC Name4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperazine-2-carboxamide
SMILESNC(=O)C1CN(c2cc(Cl)nc(-n3ccnc3)n2)CCN1
InChIInChI=1S/C12H14ClN7O/c13-9-5-10(18-12(17-9)20-3-1-15-7-20)19-4-2-16-8(6-19)11(14)21/h1,3,5,7-8,16H,2,4,6H2,(H2,14,21)
InChIKeyCIVRGHZUDIUKBA-UHFFFAOYSA-N
XLogP-0.42
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperazine-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

1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)azepane
CID 22488899
2-[4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 56980737
propan-2-yl 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-2-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carboxylate
CID 22488599
2-[4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1,1-dimethylpiperazin-1-ium-2-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 87975085
1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidine-3-carboxamide
CID 62869313
2-[4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-N-[(3-chloro-4-methoxyphenyl)methyl]acetamide
CID 56993668
2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-N-propylpiperazine-1,2-dicarboxamide
CID 22487617
4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperazine-2-carboxamide
CID 22488782
2-[4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-(oxolane-2-carbonyl)piperazin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 87794405
2-[2-[4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-2-[(4-ethoxyphenyl)methylcarbamoyl]piperazin-1-yl]-2-oxoethoxy]acetic acid
CID 22488459
4-(4-ethoxypyrimidin-2-yl)piperazine-2-carboxamide
CID 146105812
4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-N-cyclohexyl-2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1,2-dicarboxamide
CID 22488796

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperazine-2-carboxamide?
The IUPAC name of 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperazine-2-carboxamide (CID 141003241) is 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperazine-2-carboxamide.
What is the SMILES notation for 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperazine-2-carboxamide?
The canonical SMILES for 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperazine-2-carboxamide is NC(=O)C1CN(c2cc(Cl)nc(-n3ccnc3)n2)CCN1.
What is the InChIKey of 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperazine-2-carboxamide?
The InChIKey is CIVRGHZUDIUKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN7O/c13-9-5-10(18-12(17-9)20-3-1-15-7-20)19-4-2-16-8(6-19)11(14)21/h1,3,5,7-8,16H,2,4,6H2,(H2,14,21).
What are the key properties of 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperazine-2-carboxamide?
4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperazine-2-carboxamide has a molecular weight of 307.75 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperazine-2-carboxamide is sourced from PubChem (CID 141003241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).