6-methoxy-4-N-[2-(triazol-1-yl)ethyl]pyrimidine-2,4-diamine

C9H13N7O — CID 114053221

IUPAC6-methoxy-4-N-[2-(triazol-1-yl)ethyl]pyrimidine-2,4-diamine
SMILESCOc1cc(NCCn2ccnn2)nc(N)n1
InChIInChI=1S/C9H13N7O/c1-17-8-6-7(13-9(10)14-8)11-2-4-16-5-3-12-15-16/h3,5-6H,2,4H2,1H3,(H3,10,11,13,14)
InChIKeyBUGGUZBHVOWFPN-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.23
Rot. Bonds5

About 6-methoxy-4-N-[2-(triazol-1-yl)ethyl]pyrimidine-2,4-diamine

6-methoxy-4-N-[2-(triazol-1-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 114053221) has the molecular formula C9H13N7O and a molecular weight of 235.25 g/mol. Its IUPAC name is 6-methoxy-4-N-[2-(triazol-1-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-4-N-[2-(triazol-1-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID114053221
Molecular FormulaC9H13N7O
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name6-methoxy-4-N-[2-(triazol-1-yl)ethyl]pyrimidine-2,4-diamine
SMILESCOc1cc(NCCn2ccnn2)nc(N)n1
InChIInChI=1S/C9H13N7O/c1-17-8-6-7(13-9(10)14-8)11-2-4-16-5-3-12-15-16/h3,5-6H,2,4H2,1H3,(H3,10,11,13,14)
InChIKeyBUGGUZBHVOWFPN-UHFFFAOYSA-N
XLogP-0.23
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-methoxy-4-N-[2-(triazol-1-yl)ethyl]pyrimidine-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 6-methoxy-4-N-[2-(triazol-1-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-methoxy-4-N-[2-(triazol-1-yl)ethyl]pyrimidine-2,4-diamine (CID 114053221) is 6-methoxy-4-N-[2-(triazol-1-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methoxy-4-N-[2-(triazol-1-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-methoxy-4-N-[2-(triazol-1-yl)ethyl]pyrimidine-2,4-diamine is COc1cc(NCCn2ccnn2)nc(N)n1.
What is the InChIKey of 6-methoxy-4-N-[2-(triazol-1-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is BUGGUZBHVOWFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O/c1-17-8-6-7(13-9(10)14-8)11-2-4-16-5-3-12-15-16/h3,5-6H,2,4H2,1H3,(H3,10,11,13,14).
What are the key properties of 6-methoxy-4-N-[2-(triazol-1-yl)ethyl]pyrimidine-2,4-diamine?
6-methoxy-4-N-[2-(triazol-1-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 235.25 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-N-[2-(triazol-1-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 114053221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).