6-ethoxy-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one

C21H19N5O2 — CID 135553794

IUPAC6-ethoxy-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one
SMILESCCOc1ccc2nc(Nc3nc(C)cc(-c4ccccc4)n3)[nH]c(=O)c2c1
InChIInChI=1S/C21H19N5O2/c1-3-28-15-9-10-17-16(12-15)19(27)25-21(23-17)26-20-22-13(2)11-18(24-20)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H2,22,23,24,25,26,27)
InChIKeyODRNBOZUMNEDJT-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.83
Rot. Bonds5

About 6-ethoxy-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one

6-ethoxy-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one (PubChem CID 135553794) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 6-ethoxy-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-ethoxy-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one
PubChem CID135553794
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name6-ethoxy-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one
SMILESCCOc1ccc2nc(Nc3nc(C)cc(-c4ccccc4)n3)[nH]c(=O)c2c1
InChIInChI=1S/C21H19N5O2/c1-3-28-15-9-10-17-16(12-15)19(27)25-21(23-17)26-20-22-13(2)11-18(24-20)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H2,22,23,24,25,26,27)
InChIKeyODRNBOZUMNEDJT-UHFFFAOYSA-N
XLogP3.83
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one
CID 135456915
2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one
CID 135895753
N-(4-methyl-6-phenylpyrimidin-2-yl)-6-nitro-1H-benzimidazol-2-amine
CID 51059485
6-methoxy-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135448199
2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-hydroxy-1H-pyrimidin-6-one
CID 780214
4-(3,4-dimethoxyphenyl)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135895760
5-[(4-chlorophenyl)methyl]-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135659146
N-(6-ethoxy-2-methylquinolin-4-yl)-4-phenyl-1,3-thiazol-2-amine
CID 169487705
N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]ethane-1,2-diamine
CID 82191492
2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135455921
2-(ethylamino)-6-methoxy-3H-quinazolin-4-one
CID 137287759
4-chloro-6-ethoxy-3-methyl-2-phenylquinoline
CID 104845970

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one?
The IUPAC name of 6-ethoxy-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one (CID 135553794) is 6-ethoxy-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one.
What is the SMILES notation for 6-ethoxy-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one?
The canonical SMILES for 6-ethoxy-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one is CCOc1ccc2nc(Nc3nc(C)cc(-c4ccccc4)n3)[nH]c(=O)c2c1.
What is the InChIKey of 6-ethoxy-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one?
The InChIKey is ODRNBOZUMNEDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-3-28-15-9-10-17-16(12-15)19(27)25-21(23-17)26-20-22-13(2)11-18(24-20)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H2,22,23,24,25,26,27).
What are the key properties of 6-ethoxy-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one?
6-ethoxy-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one has a molecular weight of 373.42 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one is sourced from PubChem (CID 135553794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).