6-methoxy-5-[[3-(4-methyl-1,2,4-triazol-3-yl)anilino]methyl]pyrimidin-4-amine

C15H17N7O — CID 71913661

IUPAC6-methoxy-5-[[3-(4-methyl-1,2,4-triazol-3-yl)anilino]methyl]pyrimidin-4-amine
SMILESCOc1ncnc(N)c1CNc1cccc(-c2nncn2C)c1
InChIInChI=1S/C15H17N7O/c1-22-9-20-21-14(22)10-4-3-5-11(6-10)17-7-12-13(16)18-8-19-15(12)23-2/h3-6,8-9,17H,7H2,1-2H3,(H2,16,18,19)
InChIKeyGFKORBXPVKEKCM-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.48
Rot. Bonds5

About 6-methoxy-5-[[3-(4-methyl-1,2,4-triazol-3-yl)anilino]methyl]pyrimidin-4-amine

6-methoxy-5-[[3-(4-methyl-1,2,4-triazol-3-yl)anilino]methyl]pyrimidin-4-amine (PubChem CID 71913661) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is 6-methoxy-5-[[3-(4-methyl-1,2,4-triazol-3-yl)anilino]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-5-[[3-(4-methyl-1,2,4-triazol-3-yl)anilino]methyl]pyrimidin-4-amine
PubChem CID71913661
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name6-methoxy-5-[[3-(4-methyl-1,2,4-triazol-3-yl)anilino]methyl]pyrimidin-4-amine
SMILESCOc1ncnc(N)c1CNc1cccc(-c2nncn2C)c1
InChIInChI=1S/C15H17N7O/c1-22-9-20-21-14(22)10-4-3-5-11(6-10)17-7-12-13(16)18-8-19-15(12)23-2/h3-6,8-9,17H,7H2,1-2H3,(H2,16,18,19)
InChIKeyGFKORBXPVKEKCM-UHFFFAOYSA-N
XLogP1.48
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-[[3-(4-methyl-1,2,4-triazol-3-yl)anilino]methyl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-5-[[3-(4-methyl-1,2,4-triazol-3-yl)anilino]methyl]pyrimidin-4-amine (CID 71913661) is 6-methoxy-5-[[3-(4-methyl-1,2,4-triazol-3-yl)anilino]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-5-[[3-(4-methyl-1,2,4-triazol-3-yl)anilino]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-5-[[3-(4-methyl-1,2,4-triazol-3-yl)anilino]methyl]pyrimidin-4-amine is COc1ncnc(N)c1CNc1cccc(-c2nncn2C)c1.
What is the InChIKey of 6-methoxy-5-[[3-(4-methyl-1,2,4-triazol-3-yl)anilino]methyl]pyrimidin-4-amine?
The InChIKey is GFKORBXPVKEKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c1-22-9-20-21-14(22)10-4-3-5-11(6-10)17-7-12-13(16)18-8-19-15(12)23-2/h3-6,8-9,17H,7H2,1-2H3,(H2,16,18,19).
What are the key properties of 6-methoxy-5-[[3-(4-methyl-1,2,4-triazol-3-yl)anilino]methyl]pyrimidin-4-amine?
6-methoxy-5-[[3-(4-methyl-1,2,4-triazol-3-yl)anilino]methyl]pyrimidin-4-amine has a molecular weight of 311.35 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-[[3-(4-methyl-1,2,4-triazol-3-yl)anilino]methyl]pyrimidin-4-amine is sourced from PubChem (CID 71913661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).