2-[(4,7-dimethylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one

C23H27N5O — CID 73258096

IUPAC2-[(4,7-dimethylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one
SMILESCc1cccc(CC2C(=O)NC(Nc3nc(C)c4ccc(C)cc4n3)NC2C)c1
InChIInChI=1S/C23H27N5O/c1-13-6-5-7-17(10-13)12-19-16(4)25-23(27-21(19)29)28-22-24-15(3)18-9-8-14(2)11-20(18)26-22/h5-11,16,19,23,25H,12H2,1-4H3,(H,27,29)(H,24,26,28)
InChIKeyVWEMJKNOPFUZIR-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.22
Rot. Bonds4

About 2-[(4,7-dimethylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one

2-[(4,7-dimethylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one (PubChem CID 73258096) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[(4,7-dimethylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-[(4,7-dimethylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one
PubChem CID73258096
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name2-[(4,7-dimethylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one
SMILESCc1cccc(CC2C(=O)NC(Nc3nc(C)c4ccc(C)cc4n3)NC2C)c1
InChIInChI=1S/C23H27N5O/c1-13-6-5-7-17(10-13)12-19-16(4)25-23(27-21(19)29)28-22-24-15(3)18-9-8-14(2)11-20(18)26-22/h5-11,16,19,23,25H,12H2,1-4H3,(H,27,29)(H,24,26,28)
InChIKeyVWEMJKNOPFUZIR-UHFFFAOYSA-N
XLogP3.22
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(4,7-dimethylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one with MolForge

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Related Compounds

2-[(8-methoxy-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one
CID 73344824
2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(2-methylphenyl)methyl]-1,3-diazinan-4-one
CID 73357960
2-[(4,8-dimethylquinazolin-2-yl)amino]-5-ethyl-6-methyl-1,3-diazinan-4-one
CID 78211521
2-[(4,7-dimethylquinazolin-2-yl)amino]-6-(pyrimidin-2-ylsulfanylmethyl)-1,3-diazinan-4-one
CID 73259493
6-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one
CID 122362586
5-[(3-chlorophenyl)methyl]-2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135882001
3-benzyl-4-methylazetidin-2-one
CID 55255467
1-methyl-3-[(3-methylcyclopentyl)methyl]benzene
CID 123940135
6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one
CID 78372277
N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-(3-methylphenyl)acetamide
CID 78715686
2-(1,3-benzothiazol-2-yl)-6-methyl-5-[(3-methylphenyl)methyl]-1,3a,5,6,7,7a-hexahydropyrazolo[3,4-b]pyridine-3,4-dione
CID 73369351
2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 135882011

Frequently Asked Questions

What is the IUPAC name of 2-[(4,7-dimethylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one?
The IUPAC name of 2-[(4,7-dimethylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one (CID 73258096) is 2-[(4,7-dimethylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one.
What is the SMILES notation for 2-[(4,7-dimethylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one?
The canonical SMILES for 2-[(4,7-dimethylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one is Cc1cccc(CC2C(=O)NC(Nc3nc(C)c4ccc(C)cc4n3)NC2C)c1.
What is the InChIKey of 2-[(4,7-dimethylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one?
The InChIKey is VWEMJKNOPFUZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-13-6-5-7-17(10-13)12-19-16(4)25-23(27-21(19)29)28-22-24-15(3)18-9-8-14(2)11-20(18)26-22/h5-11,16,19,23,25H,12H2,1-4H3,(H,27,29)(H,24,26,28).
What are the key properties of 2-[(4,7-dimethylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one?
2-[(4,7-dimethylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one has a molecular weight of 389.50 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,7-dimethylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one is sourced from PubChem (CID 73258096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).