2-N-methyl-5,6,7,8-tetrahydropteridine-2,4-diamine

C7H12N6 — CID 10702521

IUPAC2-N-methyl-5,6,7,8-tetrahydropteridine-2,4-diamine
SMILESCNc1nc(N)c2c(n1)NCCN2
InChIInChI=1S/C7H12N6/c1-9-7-12-5(8)4-6(13-7)11-3-2-10-4/h10H,2-3H2,1H3,(H4,8,9,11,12,13)
InChIKeyMPJGSEOZOYGCFC-UHFFFAOYSA-N
MW180.22 g/mol
LogP-0.06
Rot. Bonds1

About 2-N-methyl-5,6,7,8-tetrahydropteridine-2,4-diamine

2-N-methyl-5,6,7,8-tetrahydropteridine-2,4-diamine (PubChem CID 10702521) has the molecular formula C7H12N6 and a molecular weight of 180.22 g/mol. Its IUPAC name is 2-N-methyl-5,6,7,8-tetrahydropteridine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-5,6,7,8-tetrahydropteridine-2,4-diamine
PubChem CID10702521
Molecular FormulaC7H12N6
Molecular Weight180.22 g/mol
Exact Mass180.11
IUPAC Name2-N-methyl-5,6,7,8-tetrahydropteridine-2,4-diamine
SMILESCNc1nc(N)c2c(n1)NCCN2
InChIInChI=1S/C7H12N6/c1-9-7-12-5(8)4-6(13-7)11-3-2-10-4/h10H,2-3H2,1H3,(H4,8,9,11,12,13)
InChIKeyMPJGSEOZOYGCFC-UHFFFAOYSA-N
XLogP-0.06
TPSA87.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-N-methyl-5,6,7,8-tetrahydropteridine-2,4-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 2-N-methyl-5,6,7,8-tetrahydropteridine-2,4-diamine?
The IUPAC name of 2-N-methyl-5,6,7,8-tetrahydropteridine-2,4-diamine (CID 10702521) is 2-N-methyl-5,6,7,8-tetrahydropteridine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-5,6,7,8-tetrahydropteridine-2,4-diamine?
The canonical SMILES for 2-N-methyl-5,6,7,8-tetrahydropteridine-2,4-diamine is CNc1nc(N)c2c(n1)NCCN2.
What is the InChIKey of 2-N-methyl-5,6,7,8-tetrahydropteridine-2,4-diamine?
The InChIKey is MPJGSEOZOYGCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6/c1-9-7-12-5(8)4-6(13-7)11-3-2-10-4/h10H,2-3H2,1H3,(H4,8,9,11,12,13).
What are the key properties of 2-N-methyl-5,6,7,8-tetrahydropteridine-2,4-diamine?
2-N-methyl-5,6,7,8-tetrahydropteridine-2,4-diamine has a molecular weight of 180.22 g/mol, XLogP of -0.06, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-5,6,7,8-tetrahydropteridine-2,4-diamine is sourced from PubChem (CID 10702521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).