pyrimidine-2,4,6-triamine

C4H7N5 — CID 13863

IUPACpyrimidine-2,4,6-triamine
SMILESNc1cc(N)nc(N)n1
InChIInChI=1S/C4H7N5/c5-2-1-3(6)9-4(7)8-2/h1H,(H6,5,6,7,8,9)
InChIKeyJTTIOYHBNXDJOD-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.78
Rot. Bonds

About pyrimidine-2,4,6-triamine

pyrimidine-2,4,6-triamine (PubChem CID 13863) has the molecular formula C4H7N5 and a molecular weight of 125.13 g/mol. Its IUPAC name is pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Namepyrimidine-2,4,6-triamine
PubChem CID13863
Molecular FormulaC4H7N5
Molecular Weight125.13 g/mol
Exact Mass125.07
IUPAC Namepyrimidine-2,4,6-triamine
SMILESNc1cc(N)nc(N)n1
InChIInChI=1S/C4H7N5/c5-2-1-3(6)9-4(7)8-2/h1H,(H6,5,6,7,8,9)
InChIKeyJTTIOYHBNXDJOD-UHFFFAOYSA-N
XLogP-0.78
TPSA103.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 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 pyrimidine-2,4,6-triamine?
The IUPAC name of pyrimidine-2,4,6-triamine (CID 13863) is pyrimidine-2,4,6-triamine.
What is the SMILES notation for pyrimidine-2,4,6-triamine?
The canonical SMILES for pyrimidine-2,4,6-triamine is Nc1cc(N)nc(N)n1.
What is the InChIKey of pyrimidine-2,4,6-triamine?
The InChIKey is JTTIOYHBNXDJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5/c5-2-1-3(6)9-4(7)8-2/h1H,(H6,5,6,7,8,9).
What are the key properties of pyrimidine-2,4,6-triamine?
pyrimidine-2,4,6-triamine has a molecular weight of 125.13 g/mol, XLogP of -0.78, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidine-2,4,6-triamine is sourced from PubChem (CID 13863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).