2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methoxy-3H-quinazolin-4-one

C15H17N7O2 — CID 166196697

IUPAC2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methoxy-3H-quinazolin-4-one
SMILESCOc1ccc2nc(Cc3nc(N)nc(N(C)C)n3)[nH]c(=O)c2c1
InChIInChI=1S/C15H17N7O2/c1-22(2)15-20-12(19-14(16)21-15)7-11-17-10-5-4-8(24-3)6-9(10)13(23)18-11/h4-6H,7H2,1-3H3,(H,17,18,23)(H2,16,19,20,21)
InChIKeyWSBWIJDOAZZTJW-UHFFFAOYSA-N
MW327.35 g/mol
LogP0.36
Rot. Bonds4

About 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methoxy-3H-quinazolin-4-one

2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methoxy-3H-quinazolin-4-one (PubChem CID 166196697) has the molecular formula C15H17N7O2 and a molecular weight of 327.35 g/mol. Its IUPAC name is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methoxy-3H-quinazolin-4-one
PubChem CID166196697
Molecular FormulaC15H17N7O2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methoxy-3H-quinazolin-4-one
SMILESCOc1ccc2nc(Cc3nc(N)nc(N(C)C)n3)[nH]c(=O)c2c1
InChIInChI=1S/C15H17N7O2/c1-22(2)15-20-12(19-14(16)21-15)7-11-17-10-5-4-8(24-3)6-9(10)13(23)18-11/h4-6H,7H2,1-3H3,(H,17,18,23)(H2,16,19,20,21)
InChIKeyWSBWIJDOAZZTJW-UHFFFAOYSA-N
XLogP0.36
TPSA122.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methoxy-3H-quinazolin-4-one 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-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methoxy-3H-quinazolin-4-one?
The IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methoxy-3H-quinazolin-4-one (CID 166196697) is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methoxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methoxy-3H-quinazolin-4-one?
The canonical SMILES for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methoxy-3H-quinazolin-4-one is COc1ccc2nc(Cc3nc(N)nc(N(C)C)n3)[nH]c(=O)c2c1.
What is the InChIKey of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methoxy-3H-quinazolin-4-one?
The InChIKey is WSBWIJDOAZZTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O2/c1-22(2)15-20-12(19-14(16)21-15)7-11-17-10-5-4-8(24-3)6-9(10)13(23)18-11/h4-6H,7H2,1-3H3,(H,17,18,23)(H2,16,19,20,21).
What are the key properties of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methoxy-3H-quinazolin-4-one?
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methoxy-3H-quinazolin-4-one has a molecular weight of 327.35 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methoxy-3H-quinazolin-4-one is sourced from PubChem (CID 166196697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).