2-N',6-N-dimethyl-1H-pyrimidine-2,2,6-triamine

C6H13N5 — CID 70500670

IUPAC2-N',6-N-dimethyl-1H-pyrimidine-2,2,6-triamine
SMILESCNC1=CC=NC(N)(NC)N1
InChIInChI=1S/C6H13N5/c1-8-5-3-4-10-6(7,9-2)11-5/h3-4,8-9,11H,7H2,1-2H3
InChIKeyOVSIYOUMMYGNPS-UHFFFAOYSA-N
MW155.20 g/mol
LogP-1.49
Rot. Bonds2

About 2-N',6-N-dimethyl-1H-pyrimidine-2,2,6-triamine

2-N',6-N-dimethyl-1H-pyrimidine-2,2,6-triamine (PubChem CID 70500670) has the molecular formula C6H13N5 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-N',6-N-dimethyl-1H-pyrimidine-2,2,6-triamine.

Molecular Properties

Compound Name2-N',6-N-dimethyl-1H-pyrimidine-2,2,6-triamine
PubChem CID70500670
Molecular FormulaC6H13N5
Molecular Weight155.20 g/mol
Exact Mass155.12
IUPAC Name2-N',6-N-dimethyl-1H-pyrimidine-2,2,6-triamine
SMILESCNC1=CC=NC(N)(NC)N1
InChIInChI=1S/C6H13N5/c1-8-5-3-4-10-6(7,9-2)11-5/h3-4,8-9,11H,7H2,1-2H3
InChIKeyOVSIYOUMMYGNPS-UHFFFAOYSA-N
XLogP-1.49
TPSA74.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-N',6-N-dimethyl-1H-pyrimidine-2,2,6-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',6-N-dimethyl-1H-pyrimidine-2,2,6-triamine?
The IUPAC name of 2-N',6-N-dimethyl-1H-pyrimidine-2,2,6-triamine (CID 70500670) is 2-N',6-N-dimethyl-1H-pyrimidine-2,2,6-triamine.
What is the SMILES notation for 2-N',6-N-dimethyl-1H-pyrimidine-2,2,6-triamine?
The canonical SMILES for 2-N',6-N-dimethyl-1H-pyrimidine-2,2,6-triamine is CNC1=CC=NC(N)(NC)N1.
What is the InChIKey of 2-N',6-N-dimethyl-1H-pyrimidine-2,2,6-triamine?
The InChIKey is OVSIYOUMMYGNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5/c1-8-5-3-4-10-6(7,9-2)11-5/h3-4,8-9,11H,7H2,1-2H3.
What are the key properties of 2-N',6-N-dimethyl-1H-pyrimidine-2,2,6-triamine?
2-N',6-N-dimethyl-1H-pyrimidine-2,2,6-triamine has a molecular weight of 155.20 g/mol, XLogP of -1.49, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N',6-N-dimethyl-1H-pyrimidine-2,2,6-triamine is sourced from PubChem (CID 70500670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).