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

C20H20FN5O — CID 73258105

IUPAC2-[(4,7-dimethylquinazolin-2-yl)amino]-6-(4-fluorophenyl)-1,3-diazinan-4-one
SMILESCc1ccc2c(C)nc(NC3NC(=O)CC(c4ccc(F)cc4)N3)nc2c1
InChIInChI=1S/C20H20FN5O/c1-11-3-8-15-12(2)22-19(24-17(15)9-11)26-20-23-16(10-18(27)25-20)13-4-6-14(21)7-5-13/h3-9,16,20,23H,10H2,1-2H3,(H,25,27)(H,22,24,26)
InChIKeyYUDFHXCHRUZBOQ-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.93
Rot. Bonds3

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

2-[(4,7-dimethylquinazolin-2-yl)amino]-6-(4-fluorophenyl)-1,3-diazinan-4-one (PubChem CID 73258105) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-[(4,7-dimethylquinazolin-2-yl)amino]-6-(4-fluorophenyl)-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-[(4,7-dimethylquinazolin-2-yl)amino]-6-(4-fluorophenyl)-1,3-diazinan-4-one
PubChem CID73258105
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name2-[(4,7-dimethylquinazolin-2-yl)amino]-6-(4-fluorophenyl)-1,3-diazinan-4-one
SMILESCc1ccc2c(C)nc(NC3NC(=O)CC(c4ccc(F)cc4)N3)nc2c1
InChIInChI=1S/C20H20FN5O/c1-11-3-8-15-12(2)22-19(24-17(15)9-11)26-20-23-16(10-18(27)25-20)13-4-6-14(21)7-5-13/h3-9,16,20,23H,10H2,1-2H3,(H,25,27)(H,22,24,26)
InChIKeyYUDFHXCHRUZBOQ-UHFFFAOYSA-N
XLogP2.93
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-(4-methoxyphenyl)-1,3-diazinan-4-one
CID 73263282
2-[(8-methyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)amino]-6-phenyl-1,3-diazinan-4-one
CID 122362589
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
2-[(4,7-dimethylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one
CID 73258096
2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-fluorophenyl)-1H-pyrimidin-6-one
CID 135645108
6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one
CID 73371704
6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-[(4-methylquinazolin-2-yl)amino]-1,3-diazinan-4-one
CID 78372277
6-[(4-chlorophenyl)sulfanylmethyl]-2-[(4,8-dimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one
CID 78214804
(4R)-N-(3,4-dichlorophenyl)-2-[(4,7-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 1344549
7-(4-fluorophenyl)-4-methyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
CID 17228743
(5R)-5-(4-fluorophenyl)pyrrolidin-2-one
CID 13293374

Frequently Asked Questions

What is the IUPAC name of 2-[(4,7-dimethylquinazolin-2-yl)amino]-6-(4-fluorophenyl)-1,3-diazinan-4-one?
The IUPAC name of 2-[(4,7-dimethylquinazolin-2-yl)amino]-6-(4-fluorophenyl)-1,3-diazinan-4-one (CID 73258105) is 2-[(4,7-dimethylquinazolin-2-yl)amino]-6-(4-fluorophenyl)-1,3-diazinan-4-one.
What is the SMILES notation for 2-[(4,7-dimethylquinazolin-2-yl)amino]-6-(4-fluorophenyl)-1,3-diazinan-4-one?
The canonical SMILES for 2-[(4,7-dimethylquinazolin-2-yl)amino]-6-(4-fluorophenyl)-1,3-diazinan-4-one is Cc1ccc2c(C)nc(NC3NC(=O)CC(c4ccc(F)cc4)N3)nc2c1.
What is the InChIKey of 2-[(4,7-dimethylquinazolin-2-yl)amino]-6-(4-fluorophenyl)-1,3-diazinan-4-one?
The InChIKey is YUDFHXCHRUZBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c1-11-3-8-15-12(2)22-19(24-17(15)9-11)26-20-23-16(10-18(27)25-20)13-4-6-14(21)7-5-13/h3-9,16,20,23H,10H2,1-2H3,(H,25,27)(H,22,24,26).
What are the key properties of 2-[(4,7-dimethylquinazolin-2-yl)amino]-6-(4-fluorophenyl)-1,3-diazinan-4-one?
2-[(4,7-dimethylquinazolin-2-yl)amino]-6-(4-fluorophenyl)-1,3-diazinan-4-one has a molecular weight of 365.41 g/mol, XLogP of 2.93, 3 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-(4-fluorophenyl)-1,3-diazinan-4-one is sourced from PubChem (CID 73258105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).