5-methylpyrimidine-2,4,6-triamine

C5H9N5 — CID 3018257

IUPAC5-methylpyrimidine-2,4,6-triamine
SMILESCc1c(N)nc(N)nc1N
InChIInChI=1S/C5H9N5/c1-2-3(6)9-5(8)10-4(2)7/h1H3,(H6,6,7,8,9,10)
InChIKeyPHSWNMAZTISHEE-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.47
Rot. Bonds

About 5-methylpyrimidine-2,4,6-triamine

5-methylpyrimidine-2,4,6-triamine (PubChem CID 3018257) has the molecular formula C5H9N5 and a molecular weight of 139.16 g/mol. Its IUPAC name is 5-methylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name5-methylpyrimidine-2,4,6-triamine
PubChem CID3018257
Molecular FormulaC5H9N5
Molecular Weight139.16 g/mol
Exact Mass139.09
IUPAC Name5-methylpyrimidine-2,4,6-triamine
SMILESCc1c(N)nc(N)nc1N
InChIInChI=1S/C5H9N5/c1-2-3(6)9-5(8)10-4(2)7/h1H3,(H6,6,7,8,9,10)
InChIKeyPHSWNMAZTISHEE-UHFFFAOYSA-N
XLogP-0.47
TPSA103.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-methylpyrimidine-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 5-methylpyrimidine-2,4,6-triamine?
The IUPAC name of 5-methylpyrimidine-2,4,6-triamine (CID 3018257) is 5-methylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 5-methylpyrimidine-2,4,6-triamine?
The canonical SMILES for 5-methylpyrimidine-2,4,6-triamine is Cc1c(N)nc(N)nc1N.
What is the InChIKey of 5-methylpyrimidine-2,4,6-triamine?
The InChIKey is PHSWNMAZTISHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5/c1-2-3(6)9-5(8)10-4(2)7/h1H3,(H6,6,7,8,9,10).
What are the key properties of 5-methylpyrimidine-2,4,6-triamine?
5-methylpyrimidine-2,4,6-triamine has a molecular weight of 139.16 g/mol, XLogP of -0.47, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 3018257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).