4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one

C17H19N5O — CID 135402276

IUPAC4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
SMILESCc1cc(C)c2nc(Nc3nc(C)c(C)c(=O)[nH]3)nc(C)c2c1
InChIInChI=1S/C17H19N5O/c1-8-6-9(2)14-13(7-8)12(5)19-16(20-14)22-17-18-11(4)10(3)15(23)21-17/h6-7H,1-5H3,(H2,18,19,20,21,22,23)
InChIKeyZQNLHQMVYUYLMK-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.00
Rot. Bonds2

About 4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one

4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 135402276) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID135402276
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
SMILESCc1cc(C)c2nc(Nc3nc(C)c(C)c(=O)[nH]3)nc(C)c2c1
InChIInChI=1S/C17H19N5O/c1-8-6-9(2)14-13(7-8)12(5)19-16(20-14)22-17-18-11(4)10(3)15(23)21-17/h6-7H,1-5H3,(H2,18,19,20,21,22,23)
InChIKeyZQNLHQMVYUYLMK-UHFFFAOYSA-N
XLogP3.00
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-ethyl-4-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135762344
4,6,8-trimethyl-N-(4,5,6-trimethylpyrimidin-2-yl)quinazolin-2-amine
CID 23881466
4-(2-methoxyphenyl)-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135762529
N-[2-[2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]-4,7-dimethylquinazolin-8-yl]sulfanylethyl]acetamide
CID 163705365
disodium;[2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]-4-methylquinazolin-7-yl] phosphate
CID 157021384
4,5-dimethyl-2-[(4,7,8-trimethyl-5H-cyclohepta[d]pyrimidin-2-yl)amino]-1H-pyrimidin-6-one
CID 144638031
5-butyl-2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135602395
2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-5-pentyl-1H-pyrimidin-6-one
CID 135422835
2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one
CID 135645257
2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one
CID 135467306
4-methyl-5-prop-2-enyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135602400
2-(2,3-dimethylanilino)-4,5-dimethyl-1H-pyrimidin-6-one
CID 135633218

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one (CID 135402276) is 4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one is Cc1cc(C)c2nc(Nc3nc(C)c(C)c(=O)[nH]3)nc(C)c2c1.
What is the InChIKey of 4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is ZQNLHQMVYUYLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-8-6-9(2)14-13(7-8)12(5)19-16(20-14)22-17-18-11(4)10(3)15(23)21-17/h6-7H,1-5H3,(H2,18,19,20,21,22,23).
What are the key properties of 4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 309.37 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 135402276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).