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

C19H17N7O2 — CID 25349319

IUPAC3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]quinazolin-4-one
SMILESCOc1ccccc1Nc1nc(N)nc(Cn2cnc3ccccc3c2=O)n1
InChIInChI=1S/C19H17N7O2/c1-28-15-9-5-4-8-14(15)22-19-24-16(23-18(20)25-19)10-26-11-21-13-7-3-2-6-12(13)17(26)27/h2-9,11H,10H2,1H3,(H3,20,22,23,24,25)
InChIKeyVNSYDYJBGTYFGJ-UHFFFAOYSA-N
MW375.39 g/mol
LogP1.96
Rot. Bonds5

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

3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]quinazolin-4-one (PubChem CID 25349319) has the molecular formula C19H17N7O2 and a molecular weight of 375.39 g/mol. Its IUPAC name is 3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]quinazolin-4-one
PubChem CID25349319
Molecular FormulaC19H17N7O2
Molecular Weight375.39 g/mol
Exact Mass375.14
IUPAC Name3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]quinazolin-4-one
SMILESCOc1ccccc1Nc1nc(N)nc(Cn2cnc3ccccc3c2=O)n1
InChIInChI=1S/C19H17N7O2/c1-28-15-9-5-4-8-14(15)22-19-24-16(23-18(20)25-19)10-26-11-21-13-7-3-2-6-12(13)17(26)27/h2-9,11H,10H2,1H3,(H3,20,22,23,24,25)
InChIKeyVNSYDYJBGTYFGJ-UHFFFAOYSA-N
XLogP1.96
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]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 3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]quinazolin-4-one?
The IUPAC name of 3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]quinazolin-4-one (CID 25349319) is 3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]quinazolin-4-one?
The canonical SMILES for 3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]quinazolin-4-one is COc1ccccc1Nc1nc(N)nc(Cn2cnc3ccccc3c2=O)n1.
What is the InChIKey of 3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]quinazolin-4-one?
The InChIKey is VNSYDYJBGTYFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O2/c1-28-15-9-5-4-8-14(15)22-19-24-16(23-18(20)25-19)10-26-11-21-13-7-3-2-6-12(13)17(26)27/h2-9,11H,10H2,1H3,(H3,20,22,23,24,25).
What are the key properties of 3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]quinazolin-4-one?
3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]quinazolin-4-one has a molecular weight of 375.39 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 25349319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).