4-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine

C19H28N6 — CID 165432983

IUPAC4-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
SMILESCc1nc(N2CCN(CC3CCCCC3)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C19H28N6/c1-16-21-18(14-19(22-16)25-9-5-8-20-25)24-12-10-23(11-13-24)15-17-6-3-2-4-7-17/h5,8-9,14,17H,2-4,6-7,10-13,15H2,1H3
InChIKeyOUTMMCJKAIRGMM-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.67
Rot. Bonds4

About 4-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine

4-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine (PubChem CID 165432983) has the molecular formula C19H28N6 and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine.

Molecular Properties

Compound Name4-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
PubChem CID165432983
Molecular FormulaC19H28N6
Molecular Weight340.47 g/mol
Exact Mass340.24
IUPAC Name4-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
SMILESCc1nc(N2CCN(CC3CCCCC3)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C19H28N6/c1-16-21-18(14-19(22-16)25-9-5-8-20-25)24-12-10-23(11-13-24)15-17-6-3-2-4-7-17/h5,8-9,14,17H,2-4,6-7,10-13,15H2,1H3
InChIKeyOUTMMCJKAIRGMM-UHFFFAOYSA-N
XLogP2.67
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclohexyl-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 56699807
1-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]cyclopentan-1-ol
CID 163354538
2-methyl-4-[4-(oxan-4-ylmethyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine
CID 165432124
2-methyl-4-pyrazol-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 154830051
2-methyl-4-[4-[2-(4-methylpyrazol-1-yl)ethyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 163346366
4-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 166605280
4-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 154581240
2-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine
CID 121072523
4-(hydroxymethyl)-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-ol
CID 56748397
4-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole
CID 163349540
4-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]oxolan-3-ol
CID 163352663
4-(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one
CID 84594224

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine?
The IUPAC name of 4-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine (CID 165432983) is 4-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine.
What is the SMILES notation for 4-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine?
The canonical SMILES for 4-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine is Cc1nc(N2CCN(CC3CCCCC3)CC2)cc(-n2cccn2)n1.
What is the InChIKey of 4-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine?
The InChIKey is OUTMMCJKAIRGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-16-21-18(14-19(22-16)25-9-5-8-20-25)24-12-10-23(11-13-24)15-17-6-3-2-4-7-17/h5,8-9,14,17H,2-4,6-7,10-13,15H2,1H3.
What are the key properties of 4-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine?
4-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine has a molecular weight of 340.47 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine is sourced from PubChem (CID 165432983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).