4-(5-cyano-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxylic acid

C12H15N5O2 — CID 138491806

IUPAC4-(5-cyano-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxylic acid
SMILESCc1nc(C)c(C#N)c(N2CCN(C(=O)O)CC2)n1
InChIInChI=1S/C12H15N5O2/c1-8-10(7-13)11(15-9(2)14-8)16-3-5-17(6-4-16)12(18)19/h3-6H2,1-2H3,(H,18,19)
InChIKeyHEYPUQZXQPRTIC-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.77
Rot. Bonds1

About 4-(5-cyano-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxylic acid

4-(5-cyano-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxylic acid (PubChem CID 138491806) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-(5-cyano-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-cyano-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxylic acid
PubChem CID138491806
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name4-(5-cyano-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxylic acid
SMILESCc1nc(C)c(C#N)c(N2CCN(C(=O)O)CC2)n1
InChIInChI=1S/C12H15N5O2/c1-8-10(7-13)11(15-9(2)14-8)16-3-5-17(6-4-16)12(18)19/h3-6H2,1-2H3,(H,18,19)
InChIKeyHEYPUQZXQPRTIC-UHFFFAOYSA-N
XLogP0.77
TPSA93.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(5-cyano-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxylic acid 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

tert-butyl 4-(5-cyano-2-methyl-6-methylsulfanylpyrimidin-4-yl)piperazine-1-carboxylate
CID 139881761
2,2-dichloro-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 814898
6-(4-acetylpiperazin-1-yl)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 910170
cyclopentyl-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 814901
3,3-dimethyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 814778
6-(4-benzoylpiperazin-1-yl)-2,4-dimethylpyridine-3-carbonitrile
CID 162637403
2-[4-(3-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]propanoic acid
CID 62310075
2,2-diphenyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 4677117
4-[6-cyano-3-[methoxy(methyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylic acid
CID 87228398
4-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]sulfanyl-2,6-dimethylpyrimidine-5-carbonitrile
CID 36897315
4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(3-cyanophenyl)piperazine-1-carboxamide
CID 1027694
3-(4-acetylpiperazin-1-yl)-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
CID 4911068

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(5-cyano-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxylic acid (CID 138491806) is 4-(5-cyano-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(5-cyano-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(5-cyano-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxylic acid is Cc1nc(C)c(C#N)c(N2CCN(C(=O)O)CC2)n1.
What is the InChIKey of 4-(5-cyano-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxylic acid?
The InChIKey is HEYPUQZXQPRTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8-10(7-13)11(15-9(2)14-8)16-3-5-17(6-4-16)12(18)19/h3-6H2,1-2H3,(H,18,19).
What are the key properties of 4-(5-cyano-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxylic acid?
4-(5-cyano-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyano-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 138491806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).