4-methoxy-6-methyl-N-(1,2,4-triazol-1-ylmethyl)pyrimidin-2-amine

C9H12N6O — CID 23043232

IUPAC4-methoxy-6-methyl-N-(1,2,4-triazol-1-ylmethyl)pyrimidin-2-amine
SMILESCOc1cc(C)nc(NCn2cncn2)n1
InChIInChI=1S/C9H12N6O/c1-7-3-8(16-2)14-9(13-7)11-6-15-5-10-4-12-15/h3-5H,6H2,1-2H3,(H,11,13,14)
InChIKeyGFTWBCLNHFEUOW-UHFFFAOYSA-N
MW220.24 g/mol
LogP0.45
Rot. Bonds4

About 4-methoxy-6-methyl-N-(1,2,4-triazol-1-ylmethyl)pyrimidin-2-amine

4-methoxy-6-methyl-N-(1,2,4-triazol-1-ylmethyl)pyrimidin-2-amine (PubChem CID 23043232) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 4-methoxy-6-methyl-N-(1,2,4-triazol-1-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-methyl-N-(1,2,4-triazol-1-ylmethyl)pyrimidin-2-amine
PubChem CID23043232
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name4-methoxy-6-methyl-N-(1,2,4-triazol-1-ylmethyl)pyrimidin-2-amine
SMILESCOc1cc(C)nc(NCn2cncn2)n1
InChIInChI=1S/C9H12N6O/c1-7-3-8(16-2)14-9(13-7)11-6-15-5-10-4-12-15/h3-5H,6H2,1-2H3,(H,11,13,14)
InChIKeyGFTWBCLNHFEUOW-UHFFFAOYSA-N
XLogP0.45
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-N-(1,2,4-triazol-1-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-methyl-N-(1,2,4-triazol-1-ylmethyl)pyrimidin-2-amine (CID 23043232) is 4-methoxy-6-methyl-N-(1,2,4-triazol-1-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-methyl-N-(1,2,4-triazol-1-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-methyl-N-(1,2,4-triazol-1-ylmethyl)pyrimidin-2-amine is COc1cc(C)nc(NCn2cncn2)n1.
What is the InChIKey of 4-methoxy-6-methyl-N-(1,2,4-triazol-1-ylmethyl)pyrimidin-2-amine?
The InChIKey is GFTWBCLNHFEUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c1-7-3-8(16-2)14-9(13-7)11-6-15-5-10-4-12-15/h3-5H,6H2,1-2H3,(H,11,13,14).
What are the key properties of 4-methoxy-6-methyl-N-(1,2,4-triazol-1-ylmethyl)pyrimidin-2-amine?
4-methoxy-6-methyl-N-(1,2,4-triazol-1-ylmethyl)pyrimidin-2-amine has a molecular weight of 220.24 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-N-(1,2,4-triazol-1-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 23043232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).