4-cyclopentyl-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine

C17H28N4 — CID 63343042

IUPAC4-cyclopentyl-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine
SMILESCCC(c1nc(C)cc(C2CCCC2)n1)N1CCNCC1
InChIInChI=1S/C17H28N4/c1-3-16(21-10-8-18-9-11-21)17-19-13(2)12-15(20-17)14-6-4-5-7-14/h12,14,16,18H,3-11H2,1-2H3
InChIKeyINQTWRRZBXZHRC-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.80
Rot. Bonds4

About 4-cyclopentyl-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine

4-cyclopentyl-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine (PubChem CID 63343042) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-cyclopentyl-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine.

Molecular Properties

Compound Name4-cyclopentyl-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine
PubChem CID63343042
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name4-cyclopentyl-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine
SMILESCCC(c1nc(C)cc(C2CCCC2)n1)N1CCNCC1
InChIInChI=1S/C17H28N4/c1-3-16(21-10-8-18-9-11-21)17-19-13(2)12-15(20-17)14-6-4-5-7-14/h12,14,16,18H,3-11H2,1-2H3
InChIKeyINQTWRRZBXZHRC-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclohexyl-2-(1-piperazin-1-ylpropyl)pyrimidine
CID 63343260
4-(difluoromethyl)-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine
CID 165438932
1-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-amine
CID 63319216
2-amino-1-(4-cyclopentyl-6-methylpyrimidin-2-yl)ethanol
CID 116895876
4-cyclopropyl-2-(1-piperazin-1-ylbutyl)pyrimidine
CID 55201806
1-[(1R)-1-(6-methyl-2-pyridinyl)propyl]piperazine
CID 131360307
1-(4-cyclopropyl-6-methylpyrimidin-2-yl)ethanamine
CID 63318658
5-(2,2-dimethylcyclopentyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 107182956
2-(chloromethyl)-4-cyclopentyl-6-methylpyrimidine
CID 80656567
1-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]butan-2-ol
CID 56878703
1-[(1R)-1-(2,4,5-trifluorophenyl)propyl]piperazine;dihydrochloride
CID 171292983
1-[1-(4-methoxyphenyl)propyl]piperazine
CID 3971378

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine?
The IUPAC name of 4-cyclopentyl-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine (CID 63343042) is 4-cyclopentyl-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine.
What is the SMILES notation for 4-cyclopentyl-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine?
The canonical SMILES for 4-cyclopentyl-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine is CCC(c1nc(C)cc(C2CCCC2)n1)N1CCNCC1.
What is the InChIKey of 4-cyclopentyl-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine?
The InChIKey is INQTWRRZBXZHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-3-16(21-10-8-18-9-11-21)17-19-13(2)12-15(20-17)14-6-4-5-7-14/h12,14,16,18H,3-11H2,1-2H3.
What are the key properties of 4-cyclopentyl-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine?
4-cyclopentyl-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine has a molecular weight of 288.44 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine is sourced from PubChem (CID 63343042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).