4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine

C12H21N5 — CID 58227165

IUPAC4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1nccc(N2CCN(C)CC2)n1
InChIInChI=1S/C12H21N5/c1-10(2)14-12-13-5-4-11(15-12)17-8-6-16(3)7-9-17/h4-5,10H,6-9H2,1-3H3,(H,13,14,15)
InChIKeyFLAJYPXDGOGNFQ-UHFFFAOYSA-N
MW235.34 g/mol
LogP1.05
Rot. Bonds3

About 4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine

4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine (PubChem CID 58227165) has the molecular formula C12H21N5 and a molecular weight of 235.34 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine
PubChem CID58227165
Molecular FormulaC12H21N5
Molecular Weight235.34 g/mol
Exact Mass235.18
IUPAC Name4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1nccc(N2CCN(C)CC2)n1
InChIInChI=1S/C12H21N5/c1-10(2)14-12-13-5-4-11(15-12)17-8-6-16(3)7-9-17/h4-5,10H,6-9H2,1-3H3,(H,13,14,15)
InChIKeyFLAJYPXDGOGNFQ-UHFFFAOYSA-N
XLogP1.05
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.34
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-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-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine (CID 58227165) is 4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine is CC(C)Nc1nccc(N2CCN(C)CC2)n1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is FLAJYPXDGOGNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-10(2)14-12-13-5-4-11(15-12)17-8-6-16(3)7-9-17/h4-5,10H,6-9H2,1-3H3,(H,13,14,15).
What are the key properties of 4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine?
4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 235.34 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 58227165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).