2-methyl-4-(2-phenylpiperazin-1-yl)pyrimidine

C15H18N4 — CID 110096847

IUPAC2-methyl-4-(2-phenylpiperazin-1-yl)pyrimidine
SMILESCc1nccc(N2CCNCC2c2ccccc2)n1
InChIInChI=1S/C15H18N4/c1-12-17-8-7-15(18-12)19-10-9-16-11-14(19)13-5-3-2-4-6-13/h2-8,14,16H,9-11H2,1H3
InChIKeyQBYRCJTYOMBPSD-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.94
Rot. Bonds2

About 2-methyl-4-(2-phenylpiperazin-1-yl)pyrimidine

2-methyl-4-(2-phenylpiperazin-1-yl)pyrimidine (PubChem CID 110096847) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-methyl-4-(2-phenylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(2-phenylpiperazin-1-yl)pyrimidine
PubChem CID110096847
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-methyl-4-(2-phenylpiperazin-1-yl)pyrimidine
SMILESCc1nccc(N2CCNCC2c2ccccc2)n1
InChIInChI=1S/C15H18N4/c1-12-17-8-7-15(18-12)19-10-9-16-11-14(19)13-5-3-2-4-6-13/h2-8,14,16H,9-11H2,1H3
InChIKeyQBYRCJTYOMBPSD-UHFFFAOYSA-N
XLogP1.94
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-phenylpiperazin-1-yl)pyrimidine?
The IUPAC name of 2-methyl-4-(2-phenylpiperazin-1-yl)pyrimidine (CID 110096847) is 2-methyl-4-(2-phenylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 2-methyl-4-(2-phenylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 2-methyl-4-(2-phenylpiperazin-1-yl)pyrimidine is Cc1nccc(N2CCNCC2c2ccccc2)n1.
What is the InChIKey of 2-methyl-4-(2-phenylpiperazin-1-yl)pyrimidine?
The InChIKey is QBYRCJTYOMBPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-12-17-8-7-15(18-12)19-10-9-16-11-14(19)13-5-3-2-4-6-13/h2-8,14,16H,9-11H2,1H3.
What are the key properties of 2-methyl-4-(2-phenylpiperazin-1-yl)pyrimidine?
2-methyl-4-(2-phenylpiperazin-1-yl)pyrimidine has a molecular weight of 254.34 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-phenylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 110096847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).