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

C15H17N7O — CID 46484186

IUPAC3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methylquinazolin-4-one
SMILESCc1ccc2ncn(Cc3nc(N)nc(N(C)C)n3)c(=O)c2c1
InChIInChI=1S/C15H17N7O/c1-9-4-5-11-10(6-9)13(23)22(8-17-11)7-12-18-14(16)20-15(19-12)21(2)3/h4-6,8H,7H2,1-3H3,(H2,16,18,19,20)
InChIKeyDTKBUGWJLFPLAM-UHFFFAOYSA-N
MW311.35 g/mol
LogP0.59
Rot. Bonds3

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

3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methylquinazolin-4-one (PubChem CID 46484186) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methylquinazolin-4-one
PubChem CID46484186
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methylquinazolin-4-one
SMILESCc1ccc2ncn(Cc3nc(N)nc(N(C)C)n3)c(=O)c2c1
InChIInChI=1S/C15H17N7O/c1-9-4-5-11-10(6-9)13(23)22(8-17-11)7-12-18-14(16)20-15(19-12)21(2)3/h4-6,8H,7H2,1-3H3,(H2,16,18,19,20)
InChIKeyDTKBUGWJLFPLAM-UHFFFAOYSA-N
XLogP0.59
TPSA102.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methylquinazolin-4-one?
The IUPAC name of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methylquinazolin-4-one (CID 46484186) is 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methylquinazolin-4-one.
What is the SMILES notation for 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methylquinazolin-4-one?
The canonical SMILES for 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methylquinazolin-4-one is Cc1ccc2ncn(Cc3nc(N)nc(N(C)C)n3)c(=O)c2c1.
What is the InChIKey of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methylquinazolin-4-one?
The InChIKey is DTKBUGWJLFPLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c1-9-4-5-11-10(6-9)13(23)22(8-17-11)7-12-18-14(16)20-15(19-12)21(2)3/h4-6,8H,7H2,1-3H3,(H2,16,18,19,20).
What are the key properties of 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methylquinazolin-4-one?
3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methylquinazolin-4-one has a molecular weight of 311.35 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methylquinazolin-4-one is sourced from PubChem (CID 46484186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).