4-methoxy-N,6-dimethyl-N-(1,2,4-triazol-1-yl)pyrimidin-2-amine

C9H12N6O — CID 70359631

IUPAC4-methoxy-N,6-dimethyl-N-(1,2,4-triazol-1-yl)pyrimidin-2-amine
SMILESCOc1cc(C)nc(N(C)n2cncn2)n1
InChIInChI=1S/C9H12N6O/c1-7-4-8(16-3)13-9(12-7)14(2)15-6-10-5-11-15/h4-6H,1-3H3
InChIKeyNTXMXUXRPCEYLW-UHFFFAOYSA-N
MW220.24 g/mol
LogP0.28
Rot. Bonds3

About 4-methoxy-N,6-dimethyl-N-(1,2,4-triazol-1-yl)pyrimidin-2-amine

4-methoxy-N,6-dimethyl-N-(1,2,4-triazol-1-yl)pyrimidin-2-amine (PubChem CID 70359631) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 4-methoxy-N,6-dimethyl-N-(1,2,4-triazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N,6-dimethyl-N-(1,2,4-triazol-1-yl)pyrimidin-2-amine
PubChem CID70359631
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name4-methoxy-N,6-dimethyl-N-(1,2,4-triazol-1-yl)pyrimidin-2-amine
SMILESCOc1cc(C)nc(N(C)n2cncn2)n1
InChIInChI=1S/C9H12N6O/c1-7-4-8(16-3)13-9(12-7)14(2)15-6-10-5-11-15/h4-6H,1-3H3
InChIKeyNTXMXUXRPCEYLW-UHFFFAOYSA-N
XLogP0.28
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,6-dimethyl-N-(1,2,4-triazol-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N,6-dimethyl-N-(1,2,4-triazol-1-yl)pyrimidin-2-amine (CID 70359631) is 4-methoxy-N,6-dimethyl-N-(1,2,4-triazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N,6-dimethyl-N-(1,2,4-triazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N,6-dimethyl-N-(1,2,4-triazol-1-yl)pyrimidin-2-amine is COc1cc(C)nc(N(C)n2cncn2)n1.
What is the InChIKey of 4-methoxy-N,6-dimethyl-N-(1,2,4-triazol-1-yl)pyrimidin-2-amine?
The InChIKey is NTXMXUXRPCEYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c1-7-4-8(16-3)13-9(12-7)14(2)15-6-10-5-11-15/h4-6H,1-3H3.
What are the key properties of 4-methoxy-N,6-dimethyl-N-(1,2,4-triazol-1-yl)pyrimidin-2-amine?
4-methoxy-N,6-dimethyl-N-(1,2,4-triazol-1-yl)pyrimidin-2-amine has a molecular weight of 220.24 g/mol, XLogP of 0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,6-dimethyl-N-(1,2,4-triazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 70359631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).