4-cyclopropyl-2-(1-piperazin-1-ylbutyl)pyrimidine

C15H24N4 — CID 55201806

IUPAC4-cyclopropyl-2-(1-piperazin-1-ylbutyl)pyrimidine
SMILESCCCC(c1nccc(C2CC2)n1)N1CCNCC1
InChIInChI=1S/C15H24N4/c1-2-3-14(19-10-8-16-9-11-19)15-17-7-6-13(18-15)12-4-5-12/h6-7,12,14,16H,2-5,8-11H2,1H3
InChIKeyNODHWVALSQSOQV-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.10
Rot. Bonds5

About 4-cyclopropyl-2-(1-piperazin-1-ylbutyl)pyrimidine

4-cyclopropyl-2-(1-piperazin-1-ylbutyl)pyrimidine (PubChem CID 55201806) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-cyclopropyl-2-(1-piperazin-1-ylbutyl)pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-2-(1-piperazin-1-ylbutyl)pyrimidine
PubChem CID55201806
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name4-cyclopropyl-2-(1-piperazin-1-ylbutyl)pyrimidine
SMILESCCCC(c1nccc(C2CC2)n1)N1CCNCC1
InChIInChI=1S/C15H24N4/c1-2-3-14(19-10-8-16-9-11-19)15-17-7-6-13(18-15)12-4-5-12/h6-7,12,14,16H,2-5,8-11H2,1H3
InChIKeyNODHWVALSQSOQV-UHFFFAOYSA-N
XLogP2.10
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclohexyl-2-(1-piperazin-1-ylpropyl)pyrimidine
CID 63343260
5-(furan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
CID 63342855
4-cyclopentyl-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine
CID 63343042
3-(1-piperazin-1-ylbutyl)-5-pyridazin-4-yl-1,2,4-oxadiazole
CID 104672191
4-cyclopropyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine
CID 63342953
1-[(1S)-1-(4-iodophenyl)butyl]piperazine
CID 171276051
1-[(1R)-1-(1H-pyrrol-2-yl)butyl]piperazine;dihydrochloride
CID 171287820
trimethyl-[4-[(1S)-1-piperazin-1-ylbutyl]phenoxy]silane
CID 171279039
1-[(1S)-1-(5-bromo-2-pyridinyl)butyl]piperazine
CID 171276282
1-[(1R)-1-(6-bromo-2-pyridinyl)butyl]piperazine;dihydrochloride
CID 171289052
1-[(1R)-1-(2,6-dichloro-3-pyridinyl)butyl]piperazine;dihydrochloride
CID 171289236
5-tert-butyl-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
CID 63342938

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(1-piperazin-1-ylbutyl)pyrimidine?
The IUPAC name of 4-cyclopropyl-2-(1-piperazin-1-ylbutyl)pyrimidine (CID 55201806) is 4-cyclopropyl-2-(1-piperazin-1-ylbutyl)pyrimidine.
What is the SMILES notation for 4-cyclopropyl-2-(1-piperazin-1-ylbutyl)pyrimidine?
The canonical SMILES for 4-cyclopropyl-2-(1-piperazin-1-ylbutyl)pyrimidine is CCCC(c1nccc(C2CC2)n1)N1CCNCC1.
What is the InChIKey of 4-cyclopropyl-2-(1-piperazin-1-ylbutyl)pyrimidine?
The InChIKey is NODHWVALSQSOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-2-3-14(19-10-8-16-9-11-19)15-17-7-6-13(18-15)12-4-5-12/h6-7,12,14,16H,2-5,8-11H2,1H3.
What are the key properties of 4-cyclopropyl-2-(1-piperazin-1-ylbutyl)pyrimidine?
4-cyclopropyl-2-(1-piperazin-1-ylbutyl)pyrimidine has a molecular weight of 260.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(1-piperazin-1-ylbutyl)pyrimidine is sourced from PubChem (CID 55201806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).