2-N,4-N,6-N-tris(2-methylpropyl)pyrimidine-2,4,6-triamine

C16H31N5 — CID 25128814

IUPAC2-N,4-N,6-N-tris(2-methylpropyl)pyrimidine-2,4,6-triamine
SMILESCC(C)CNc1cc(NCC(C)C)nc(NCC(C)C)n1
InChIInChI=1S/C16H31N5/c1-11(2)8-17-14-7-15(18-9-12(3)4)21-16(20-14)19-10-13(5)6/h7,11-13H,8-10H2,1-6H3,(H3,17,18,19,20,21)
InChIKeyHVZSNANIMUMCPH-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.68
Rot. Bonds9

About 2-N,4-N,6-N-tris(2-methylpropyl)pyrimidine-2,4,6-triamine

2-N,4-N,6-N-tris(2-methylpropyl)pyrimidine-2,4,6-triamine (PubChem CID 25128814) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-N,4-N,6-N-tris(2-methylpropyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,6-N-tris(2-methylpropyl)pyrimidine-2,4,6-triamine
PubChem CID25128814
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC Name2-N,4-N,6-N-tris(2-methylpropyl)pyrimidine-2,4,6-triamine
SMILESCC(C)CNc1cc(NCC(C)C)nc(NCC(C)C)n1
InChIInChI=1S/C16H31N5/c1-11(2)8-17-14-7-15(18-9-12(3)4)21-16(20-14)19-10-13(5)6/h7,11-13H,8-10H2,1-6H3,(H3,17,18,19,20,21)
InChIKeyHVZSNANIMUMCPH-UHFFFAOYSA-N
XLogP3.68
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-N,4-N,6-N-tris(2-methylpropyl)pyrimidine-2,4,6-triamine 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 2-N,4-N,6-N-tris(2-methylpropyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 2-N,4-N,6-N-tris(2-methylpropyl)pyrimidine-2,4,6-triamine (CID 25128814) is 2-N,4-N,6-N-tris(2-methylpropyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,6-N-tris(2-methylpropyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,6-N-tris(2-methylpropyl)pyrimidine-2,4,6-triamine is CC(C)CNc1cc(NCC(C)C)nc(NCC(C)C)n1.
What is the InChIKey of 2-N,4-N,6-N-tris(2-methylpropyl)pyrimidine-2,4,6-triamine?
The InChIKey is HVZSNANIMUMCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-11(2)8-17-14-7-15(18-9-12(3)4)21-16(20-14)19-10-13(5)6/h7,11-13H,8-10H2,1-6H3,(H3,17,18,19,20,21).
What are the key properties of 2-N,4-N,6-N-tris(2-methylpropyl)pyrimidine-2,4,6-triamine?
2-N,4-N,6-N-tris(2-methylpropyl)pyrimidine-2,4,6-triamine has a molecular weight of 293.46 g/mol, XLogP of 3.68, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-N-tris(2-methylpropyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 25128814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).