4-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine

C14H26N6 — CID 19138287

IUPAC4-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
SMILESCC(C)CCNc1ncnc(N2CCN(C)CC2)c1N
InChIInChI=1S/C14H26N6/c1-11(2)4-5-16-13-12(15)14(18-10-17-13)20-8-6-19(3)7-9-20/h10-11H,4-9,15H2,1-3H3,(H,16,17,18)
InChIKeyCCTQVFKQCARRJE-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.27
Rot. Bonds5

About 4-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine

4-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine (PubChem CID 19138287) has the molecular formula C14H26N6 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
PubChem CID19138287
Molecular FormulaC14H26N6
Molecular Weight278.40 g/mol
Exact Mass278.22
IUPAC Name4-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
SMILESCC(C)CCNc1ncnc(N2CCN(C)CC2)c1N
InChIInChI=1S/C14H26N6/c1-11(2)4-5-16-13-12(15)14(18-10-17-13)20-8-6-19(3)7-9-20/h10-11H,4-9,15H2,1-3H3,(H,16,17,18)
InChIKeyCCTQVFKQCARRJE-UHFFFAOYSA-N
XLogP1.27
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine 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-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine (CID 19138287) is 4-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine is CC(C)CCNc1ncnc(N2CCN(C)CC2)c1N.
What is the InChIKey of 4-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine?
The InChIKey is CCTQVFKQCARRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6/c1-11(2)4-5-16-13-12(15)14(18-10-17-13)20-8-6-19(3)7-9-20/h10-11H,4-9,15H2,1-3H3,(H,16,17,18).
What are the key properties of 4-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine?
4-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine has a molecular weight of 278.40 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19138287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).