4-phenyl-5-(3-piperazin-1-ylpropyl)pyrimidine

C17H22N4 — CID 141070754

IUPAC4-phenyl-5-(3-piperazin-1-ylpropyl)pyrimidine
SMILESc1ccc(-c2ncncc2CCCN2CCNCC2)cc1
InChIInChI=1S/C17H22N4/c1-2-5-15(6-3-1)17-16(13-19-14-20-17)7-4-10-21-11-8-18-9-12-21/h1-3,5-6,13-14,18H,4,7-12H2
InChIKeyHJOKCZKYVBNUIQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.98
Rot. Bonds5

About 4-phenyl-5-(3-piperazin-1-ylpropyl)pyrimidine

4-phenyl-5-(3-piperazin-1-ylpropyl)pyrimidine (PubChem CID 141070754) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-phenyl-5-(3-piperazin-1-ylpropyl)pyrimidine.

Molecular Properties

Compound Name4-phenyl-5-(3-piperazin-1-ylpropyl)pyrimidine
PubChem CID141070754
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name4-phenyl-5-(3-piperazin-1-ylpropyl)pyrimidine
SMILESc1ccc(-c2ncncc2CCCN2CCNCC2)cc1
InChIInChI=1S/C17H22N4/c1-2-5-15(6-3-1)17-16(13-19-14-20-17)7-4-10-21-11-8-18-9-12-21/h1-3,5-6,13-14,18H,4,7-12H2
InChIKeyHJOKCZKYVBNUIQ-UHFFFAOYSA-N
XLogP1.98
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-(3-piperazin-1-ylpropyl)pyrimidine?
The IUPAC name of 4-phenyl-5-(3-piperazin-1-ylpropyl)pyrimidine (CID 141070754) is 4-phenyl-5-(3-piperazin-1-ylpropyl)pyrimidine.
What is the SMILES notation for 4-phenyl-5-(3-piperazin-1-ylpropyl)pyrimidine?
The canonical SMILES for 4-phenyl-5-(3-piperazin-1-ylpropyl)pyrimidine is c1ccc(-c2ncncc2CCCN2CCNCC2)cc1.
What is the InChIKey of 4-phenyl-5-(3-piperazin-1-ylpropyl)pyrimidine?
The InChIKey is HJOKCZKYVBNUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-5-15(6-3-1)17-16(13-19-14-20-17)7-4-10-21-11-8-18-9-12-21/h1-3,5-6,13-14,18H,4,7-12H2.
What are the key properties of 4-phenyl-5-(3-piperazin-1-ylpropyl)pyrimidine?
4-phenyl-5-(3-piperazin-1-ylpropyl)pyrimidine has a molecular weight of 282.39 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-(3-piperazin-1-ylpropyl)pyrimidine is sourced from PubChem (CID 141070754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).