4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-N-(2-methylpropyl)pyrimidine-2,4,6-triamine

C15H25N9 — CID 71681806

IUPAC4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
SMILESCC(C)CNc1cc(N(C)CCNc2ccnc(N)n2)nc(N)n1
InChIInChI=1S/C15H25N9/c1-10(2)9-20-12-8-13(23-15(17)22-12)24(3)7-6-18-11-4-5-19-14(16)21-11/h4-5,8,10H,6-7,9H2,1-3H3,(H3,16,18,19,21)(H3,17,20,22,23)
InChIKeyVGRLAPNKWPZKIO-UHFFFAOYSA-N
MW331.43 g/mol
LogP1.05
Rot. Bonds8

About 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-N-(2-methylpropyl)pyrimidine-2,4,6-triamine

4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-N-(2-methylpropyl)pyrimidine-2,4,6-triamine (PubChem CID 71681806) has the molecular formula C15H25N9 and a molecular weight of 331.43 g/mol. Its IUPAC name is 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-N-(2-methylpropyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
PubChem CID71681806
Molecular FormulaC15H25N9
Molecular Weight331.43 g/mol
Exact Mass331.22
IUPAC Name4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
SMILESCC(C)CNc1cc(N(C)CCNc2ccnc(N)n2)nc(N)n1
InChIInChI=1S/C15H25N9/c1-10(2)9-20-12-8-13(23-15(17)22-12)24(3)7-6-18-11-4-5-19-14(16)21-11/h4-5,8,10H,6-7,9H2,1-3H3,(H3,16,18,19,21)(H3,17,20,22,23)
InChIKeyVGRLAPNKWPZKIO-UHFFFAOYSA-N
XLogP1.05
TPSA130.90 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-N-(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 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-N-(2-methylpropyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-N-(2-methylpropyl)pyrimidine-2,4,6-triamine (CID 71681806) is 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-N-(2-methylpropyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-N-(2-methylpropyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-N-(2-methylpropyl)pyrimidine-2,4,6-triamine is CC(C)CNc1cc(N(C)CCNc2ccnc(N)n2)nc(N)n1.
What is the InChIKey of 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-N-(2-methylpropyl)pyrimidine-2,4,6-triamine?
The InChIKey is VGRLAPNKWPZKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N9/c1-10(2)9-20-12-8-13(23-15(17)22-12)24(3)7-6-18-11-4-5-19-14(16)21-11/h4-5,8,10H,6-7,9H2,1-3H3,(H3,16,18,19,21)(H3,17,20,22,23).
What are the key properties of 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-N-(2-methylpropyl)pyrimidine-2,4,6-triamine?
4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-N-(2-methylpropyl)pyrimidine-2,4,6-triamine has a molecular weight of 331.43 g/mol, XLogP of 1.05, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-N-(2-methylpropyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 71681806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).