2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-1,3-diazinan-4-one

C21H23N5O3 — CID 73263282

IUPAC2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-1,3-diazinan-4-one
SMILESCOc1ccc(C2CC(=O)NC(Nc3nc(C)c4cc(OC)ccc4n3)N2)cc1
InChIInChI=1S/C21H23N5O3/c1-12-16-10-15(29-3)8-9-17(16)23-20(22-12)26-21-24-18(11-19(27)25-21)13-4-6-14(28-2)7-5-13/h4-10,18,21,24H,11H2,1-3H3,(H,25,27)(H,22,23,26)
InChIKeyWTXJADOFWIJAER-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.50
Rot. Bonds5

About 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-1,3-diazinan-4-one

2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-1,3-diazinan-4-one (PubChem CID 73263282) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-1,3-diazinan-4-one
PubChem CID73263282
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-1,3-diazinan-4-one
SMILESCOc1ccc(C2CC(=O)NC(Nc3nc(C)c4cc(OC)ccc4n3)N2)cc1
InChIInChI=1S/C21H23N5O3/c1-12-16-10-15(29-3)8-9-17(16)23-20(22-12)26-21-24-18(11-19(27)25-21)13-4-6-14(28-2)7-5-13/h4-10,18,21,24H,11H2,1-3H3,(H,25,27)(H,22,23,26)
InChIKeyWTXJADOFWIJAER-UHFFFAOYSA-N
XLogP2.50
TPSA97.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-1,3-diazinan-4-one with MolForge

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Related Compounds

6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one
CID 73371704
2-[(8-methyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)amino]-6-phenyl-1,3-diazinan-4-one
CID 122362589
6-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one
CID 122362586
6-methoxy-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135448199
(4R)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 1146691
(4S)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 1153001
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-8-methyl-3H-quinazolin-4-one
CID 135440093
5-[(3-chlorophenyl)methyl]-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-6-methyl-1,3-diazinan-4-one
CID 73357951
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135435517
6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one
CID 78372277
N-(4,6-dimethylpyrimidin-2-yl)-7-methoxy-4-methylquinazolin-2-amine
CID 658255
2-bromo-6-methoxy-4-methylquinazoline
CID 84804344

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-1,3-diazinan-4-one?
The IUPAC name of 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-1,3-diazinan-4-one (CID 73263282) is 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-1,3-diazinan-4-one.
What is the SMILES notation for 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-1,3-diazinan-4-one?
The canonical SMILES for 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-1,3-diazinan-4-one is COc1ccc(C2CC(=O)NC(Nc3nc(C)c4cc(OC)ccc4n3)N2)cc1.
What is the InChIKey of 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-1,3-diazinan-4-one?
The InChIKey is WTXJADOFWIJAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-12-16-10-15(29-3)8-9-17(16)23-20(22-12)26-21-24-18(11-19(27)25-21)13-4-6-14(28-2)7-5-13/h4-10,18,21,24H,11H2,1-3H3,(H,25,27)(H,22,23,26).
What are the key properties of 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-1,3-diazinan-4-one?
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-1,3-diazinan-4-one has a molecular weight of 393.45 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-1,3-diazinan-4-one is sourced from PubChem (CID 73263282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).