2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine

C15H18N4 — CID 70794404

IUPAC2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine
SMILESCN1CCN(c2ccc(-c3ncccn3)cc2)CC1
InChIInChI=1S/C15H18N4/c1-18-9-11-19(12-10-18)14-5-3-13(4-6-14)15-16-7-2-8-17-15/h2-8H,9-12H2,1H3
InChIKeyVEMXSTBBYPBKOO-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.90
Rot. Bonds2

About 2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine

2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine (PubChem CID 70794404) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine
PubChem CID70794404
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine
SMILESCN1CCN(c2ccc(-c3ncccn3)cc2)CC1
InChIInChI=1S/C15H18N4/c1-18-9-11-19(12-10-18)14-5-3-13(4-6-14)15-16-7-2-8-17-15/h2-8H,9-12H2,1H3
InChIKeyVEMXSTBBYPBKOO-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine?
The IUPAC name of 2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine (CID 70794404) is 2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine.
What is the SMILES notation for 2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine?
The canonical SMILES for 2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine is CN1CCN(c2ccc(-c3ncccn3)cc2)CC1.
What is the InChIKey of 2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine?
The InChIKey is VEMXSTBBYPBKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-18-9-11-19(12-10-18)14-5-3-13(4-6-14)15-16-7-2-8-17-15/h2-8H,9-12H2,1H3.
What are the key properties of 2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine?
2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine has a molecular weight of 254.34 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine is sourced from PubChem (CID 70794404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).