4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclohexylpiperazine-1-carboxamide

C17H24N6O — CID 110404200

IUPAC4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclohexylpiperazine-1-carboxamide
SMILESCc1cc(C#N)nc(N2CCN(C(=O)NC3CCCCC3)CC2)n1
InChIInChI=1S/C17H24N6O/c1-13-11-15(12-18)20-16(19-13)22-7-9-23(10-8-22)17(24)21-14-5-3-2-4-6-14/h11,14H,2-10H2,1H3,(H,21,24)
InChIKeyXYTPTTPMDIEOOV-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.82
Rot. Bonds2

About 4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclohexylpiperazine-1-carboxamide

4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclohexylpiperazine-1-carboxamide (PubChem CID 110404200) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclohexylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclohexylpiperazine-1-carboxamide
PubChem CID110404200
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclohexylpiperazine-1-carboxamide
SMILESCc1cc(C#N)nc(N2CCN(C(=O)NC3CCCCC3)CC2)n1
InChIInChI=1S/C17H24N6O/c1-13-11-15(12-18)20-16(19-13)22-7-9-23(10-8-22)17(24)21-14-5-3-2-4-6-14/h11,14H,2-10H2,1H3,(H,21,24)
InChIKeyXYTPTTPMDIEOOV-UHFFFAOYSA-N
XLogP1.82
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-cyclopentylpropanoyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 110426690
methyl 4-(4-cyano-6-methylpyrimidin-2-yl)piperazine-1-carboxylate
CID 110404220
N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108990409
N-[3-[4-(4-cyano-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 110426660
4-(3-cyanophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 113104573
2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 110404182
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 110404178
N-cyclopentyl-4-(6-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 71795117
2-(3-acetylpiperidin-1-yl)-6-methylpyrimidine-4-carbonitrile
CID 107548775
2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 107552935
1-(4-cyano-6-methylpyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid
CID 107542961
6-methyl-2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
CID 107552489

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclohexylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclohexylpiperazine-1-carboxamide (CID 110404200) is 4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclohexylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclohexylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclohexylpiperazine-1-carboxamide is Cc1cc(C#N)nc(N2CCN(C(=O)NC3CCCCC3)CC2)n1.
What is the InChIKey of 4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclohexylpiperazine-1-carboxamide?
The InChIKey is XYTPTTPMDIEOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-13-11-15(12-18)20-16(19-13)22-7-9-23(10-8-22)17(24)21-14-5-3-2-4-6-14/h11,14H,2-10H2,1H3,(H,21,24).
What are the key properties of 4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclohexylpiperazine-1-carboxamide?
4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclohexylpiperazine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclohexylpiperazine-1-carboxamide is sourced from PubChem (CID 110404200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).