4-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C16H21N5 — CID 25129524

IUPAC4-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCc1cccc(-c2cc(N3CCN(C)CC3)nc(N)n2)c1
InChIInChI=1S/C16H21N5/c1-12-4-3-5-13(10-12)14-11-15(19-16(17)18-14)21-8-6-20(2)7-9-21/h3-5,10-11H,6-9H2,1-2H3,(H2,17,18,19)
InChIKeyLAKTWLGPYJCEIC-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.79
Rot. Bonds2

About 4-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

4-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 25129524) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID25129524
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name4-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCc1cccc(-c2cc(N3CCN(C)CC3)nc(N)n2)c1
InChIInChI=1S/C16H21N5/c1-12-4-3-5-13(10-12)14-11-15(19-16(17)18-14)21-8-6-20(2)7-9-21/h3-5,10-11H,6-9H2,1-2H3,(H2,17,18,19)
InChIKeyLAKTWLGPYJCEIC-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-(3-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-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 25129524) is 4-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is Cc1cccc(-c2cc(N3CCN(C)CC3)nc(N)n2)c1.
What is the InChIKey of 4-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is LAKTWLGPYJCEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-12-4-3-5-13(10-12)14-11-15(19-16(17)18-14)21-8-6-20(2)7-9-21/h3-5,10-11H,6-9H2,1-2H3,(H2,17,18,19).
What are the key properties of 4-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
4-(3-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-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 25129524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).