6-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-4-amine

C13H23N5 — CID 58940632

IUPAC6-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-4-amine
SMILESCC(C)CNc1cc(N2CCN(C)CC2)ncn1
InChIInChI=1S/C13H23N5/c1-11(2)9-14-12-8-13(16-10-15-12)18-6-4-17(3)5-7-18/h8,10-11H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyCJCQDSBIKAUBCQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.30
Rot. Bonds4

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

6-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 58940632) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-4-amine
PubChem CID58940632
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name6-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-4-amine
SMILESCC(C)CNc1cc(N2CCN(C)CC2)ncn1
InChIInChI=1S/C13H23N5/c1-11(2)9-14-12-8-13(16-10-15-12)18-6-4-17(3)5-7-18/h8,10-11H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyCJCQDSBIKAUBCQ-UHFFFAOYSA-N
XLogP1.30
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)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

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methylpropyl)pyrimidin-4-amine
CID 112855305
6-(4-methylpiperazin-1-yl)-N-pentylpyrimidin-4-amine
CID 112857956
6-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112857915
N-(3-methylbutyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863365
6-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112857972
N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine
CID 80825091
N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 129320693
6-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)pyrimidin-4-amine
CID 99968435
N-(2,2-dimethoxyethyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 122282484
N-(4-ethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968384
4-(2,2-dimethylpropyl)-6-(4-methylpiperazin-1-yl)pyrimidine
CID 174159201
N-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80757593

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-4-amine (CID 58940632) is 6-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-4-amine is CC(C)CNc1cc(N2CCN(C)CC2)ncn1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is CJCQDSBIKAUBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-11(2)9-14-12-8-13(16-10-15-12)18-6-4-17(3)5-7-18/h8,10-11H,4-7,9H2,1-3H3,(H,14,15,16).
What are the key properties of 6-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-4-amine?
6-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 58940632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).