4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C16H21N5 — CID 25131228

IUPAC4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCc1ccccc1-c1cc(N2CCN(C)CC2)nc(N)n1
InChIInChI=1S/C16H21N5/c1-12-5-3-4-6-13(12)14-11-15(19-16(17)18-14)21-9-7-20(2)8-10-21/h3-6,11H,7-10H2,1-2H3,(H2,17,18,19)
InChIKeyHEDVRBXYVBVMLM-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.79
Rot. Bonds2

About 4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 25131228) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID25131228
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCc1ccccc1-c1cc(N2CCN(C)CC2)nc(N)n1
InChIInChI=1S/C16H21N5/c1-12-5-3-4-6-13(12)14-11-15(19-16(17)18-14)21-9-7-20(2)8-10-21/h3-6,11H,7-10H2,1-2H3,(H2,17,18,19)
InChIKeyHEDVRBXYVBVMLM-UHFFFAOYSA-N
XLogP1.79
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 25131228) is 4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is Cc1ccccc1-c1cc(N2CCN(C)CC2)nc(N)n1.
What is the InChIKey of 4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is HEDVRBXYVBVMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-12-5-3-4-6-13(12)14-11-15(19-16(17)18-14)21-9-7-20(2)8-10-21/h3-6,11H,7-10H2,1-2H3,(H2,17,18,19).
What are the key properties of 4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 283.38 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 25131228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).