N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

C15H19N5 — CID 80754206

IUPACN-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESCNc1cc(N2CCN(c3ccccc3)CC2)ncn1
InChIInChI=1S/C15H19N5/c1-16-14-11-15(18-12-17-14)20-9-7-19(8-10-20)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,16,17,18)
InChIKeyAOIBLBUEYSVRLY-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.84
Rot. Bonds3

About N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 80754206) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID80754206
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC NameN-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESCNc1cc(N2CCN(c3ccccc3)CC2)ncn1
InChIInChI=1S/C15H19N5/c1-16-14-11-15(18-12-17-14)20-9-7-19(8-10-20)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,16,17,18)
InChIKeyAOIBLBUEYSVRLY-UHFFFAOYSA-N
XLogP1.84
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 122281848
N-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862245
N-(1-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859300
N-[(4-methylphenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859172
6-(1,3-dihydroisoindol-2-yl)-N-methylpyrimidin-4-amine
CID 80822585
N-(3-methoxypropyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112856870
6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 78929760
N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862304
N-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862274
6-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 122281827
N-[(4-fluorophenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859720
6-(4,4-dimethylpiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 80823841

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (CID 80754206) is N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is CNc1cc(N2CCN(c3ccccc3)CC2)ncn1.
What is the InChIKey of N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is AOIBLBUEYSVRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-16-14-11-15(18-12-17-14)20-9-7-19(8-10-20)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,16,17,18).
What are the key properties of N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 269.35 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80754206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).