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

C15H18N4 — CID 30182677

IUPAC5-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine
SMILESCc1cnc(N2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C15H18N4/c1-13-11-16-15(17-12-13)19-9-7-18(8-10-19)14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3
InChIKeyWCTJZYJOJUURBH-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.11
Rot. Bonds2

About 5-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine

5-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine (PubChem CID 30182677) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 5-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine
PubChem CID30182677
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name5-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine
SMILESCc1cnc(N2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C15H18N4/c1-13-11-16-15(17-12-13)19-9-7-18(8-10-19)14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3
InChIKeyWCTJZYJOJUURBH-UHFFFAOYSA-N
XLogP2.11
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine?
The IUPAC name of 5-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine (CID 30182677) is 5-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 5-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 5-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine is Cc1cnc(N2CCN(c3ccccc3)CC2)nc1.
What is the InChIKey of 5-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine?
The InChIKey is WCTJZYJOJUURBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-13-11-16-15(17-12-13)19-9-7-18(8-10-19)14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 5-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine?
5-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine has a molecular weight of 254.34 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 30182677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).