4-cyclohexyl-2-(1-piperazin-1-ylpropyl)pyrimidine

C17H28N4 — CID 63343260

IUPAC4-cyclohexyl-2-(1-piperazin-1-ylpropyl)pyrimidine
SMILESCCC(c1nccc(C2CCCCC2)n1)N1CCNCC1
InChIInChI=1S/C17H28N4/c1-2-16(21-12-10-18-11-13-21)17-19-9-8-15(20-17)14-6-4-3-5-7-14/h8-9,14,16,18H,2-7,10-13H2,1H3
InChIKeyIEGWVOFYMPOGDV-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.88
Rot. Bonds4

About 4-cyclohexyl-2-(1-piperazin-1-ylpropyl)pyrimidine

4-cyclohexyl-2-(1-piperazin-1-ylpropyl)pyrimidine (PubChem CID 63343260) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-cyclohexyl-2-(1-piperazin-1-ylpropyl)pyrimidine.

Molecular Properties

Compound Name4-cyclohexyl-2-(1-piperazin-1-ylpropyl)pyrimidine
PubChem CID63343260
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name4-cyclohexyl-2-(1-piperazin-1-ylpropyl)pyrimidine
SMILESCCC(c1nccc(C2CCCCC2)n1)N1CCNCC1
InChIInChI=1S/C17H28N4/c1-2-16(21-12-10-18-11-13-21)17-19-9-8-15(20-17)14-6-4-3-5-7-14/h8-9,14,16,18H,2-7,10-13H2,1H3
InChIKeyIEGWVOFYMPOGDV-UHFFFAOYSA-N
XLogP2.88
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-2-(1-piperazin-1-ylbutyl)pyrimidine
CID 55201806
4-cyclopentyl-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine
CID 63343042
4-cyclopentyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine
CID 63342955
1-(1-pyridin-4-ylpropyl)-1,4-diazepane
CID 3349010
2-(4-cyclobutylpyrimidin-2-yl)-3-methylbutan-1-amine
CID 116903236
2-[4-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butanoic acid
CID 116903021
1-[1-(4-methoxyphenyl)propyl]piperazine
CID 3971378
4-cyclopropyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine
CID 63342953
2-[1-(1,4-diazepan-1-yl)propyl]-1,3-thiazole
CID 64948646
4-cyclopentyl-2-methylsulfanylpyrimidine
CID 70073291
4-(1-methylpiperidin-3-yl)-2-piperazin-1-ylpyrimidine
CID 116900754
1-[(1S)-1-pyridin-3-ylpropyl]piperazine
CID 92764058

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-(1-piperazin-1-ylpropyl)pyrimidine?
The IUPAC name of 4-cyclohexyl-2-(1-piperazin-1-ylpropyl)pyrimidine (CID 63343260) is 4-cyclohexyl-2-(1-piperazin-1-ylpropyl)pyrimidine.
What is the SMILES notation for 4-cyclohexyl-2-(1-piperazin-1-ylpropyl)pyrimidine?
The canonical SMILES for 4-cyclohexyl-2-(1-piperazin-1-ylpropyl)pyrimidine is CCC(c1nccc(C2CCCCC2)n1)N1CCNCC1.
What is the InChIKey of 4-cyclohexyl-2-(1-piperazin-1-ylpropyl)pyrimidine?
The InChIKey is IEGWVOFYMPOGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-2-16(21-12-10-18-11-13-21)17-19-9-8-15(20-17)14-6-4-3-5-7-14/h8-9,14,16,18H,2-7,10-13H2,1H3.
What are the key properties of 4-cyclohexyl-2-(1-piperazin-1-ylpropyl)pyrimidine?
4-cyclohexyl-2-(1-piperazin-1-ylpropyl)pyrimidine has a molecular weight of 288.44 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-(1-piperazin-1-ylpropyl)pyrimidine is sourced from PubChem (CID 63343260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).