6-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one

C16H21N5O — CID 122362586

IUPAC6-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one
SMILESCc1cc2nc(NC3NC(=O)CC(C)N3)nc(C)c2cc1C
InChIInChI=1S/C16H21N5O/c1-8-5-12-11(4)18-16(19-13(12)6-9(8)2)21-15-17-10(3)7-14(22)20-15/h5-6,10,15,17H,7H2,1-4H3,(H,20,22)(H,18,19,21)
InChIKeyBPUBKAVAILMQTH-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.75
Rot. Bonds2

About 6-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one

6-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one (PubChem CID 122362586) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 6-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one.

Molecular Properties

Compound Name6-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one
PubChem CID122362586
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name6-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one
SMILESCc1cc2nc(NC3NC(=O)CC(C)N3)nc(C)c2cc1C
InChIInChI=1S/C16H21N5O/c1-8-5-12-11(4)18-16(19-13(12)6-9(8)2)21-15-17-10(3)7-14(22)20-15/h5-6,10,15,17H,7H2,1-4H3,(H,20,22)(H,18,19,21)
InChIKeyBPUBKAVAILMQTH-UHFFFAOYSA-N
XLogP1.75
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one with MolForge

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Related Compounds

2-[(4,7-dimethylquinazolin-2-yl)amino]-6-(4-fluorophenyl)-1,3-diazinan-4-one
CID 73258105
2-[(8-methyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)amino]-6-phenyl-1,3-diazinan-4-one
CID 122362589
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-1,3-diazinan-4-one
CID 73263282
2-[(4,7-dimethylquinazolin-2-yl)amino]-6-(pyrimidin-2-ylsulfanylmethyl)-1,3-diazinan-4-one
CID 73259493
6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one
CID 73371704
6-[(4-chlorophenyl)sulfanylmethyl]-2-[(4,8-dimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one
CID 78214804
6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one
CID 78372277
4,6,7-trimethylquinazolin-2-amine
CID 919132
2-(4-hydroxyanilino)-6-methyl-1,3-diazinan-4-one
CID 78205749
2-[(4,7-dimethylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one
CID 73258096
2-[(4,8-dimethylquinazolin-2-yl)amino]-5-ethyl-6-methyl-1,3-diazinan-4-one
CID 78211521
2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(2-methylphenyl)methyl]-1,3-diazinan-4-one
CID 73357960

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one?
The IUPAC name of 6-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one (CID 122362586) is 6-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one.
What is the SMILES notation for 6-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one?
The canonical SMILES for 6-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one is Cc1cc2nc(NC3NC(=O)CC(C)N3)nc(C)c2cc1C.
What is the InChIKey of 6-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one?
The InChIKey is BPUBKAVAILMQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-8-5-12-11(4)18-16(19-13(12)6-9(8)2)21-15-17-10(3)7-14(22)20-15/h5-6,10,15,17H,7H2,1-4H3,(H,20,22)(H,18,19,21).
What are the key properties of 6-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one?
6-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one has a molecular weight of 299.38 g/mol, XLogP of 1.75, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one is sourced from PubChem (CID 122362586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).