2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one

C21H19N5O2 — CID 135490814

IUPAC2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one
SMILESCCOc1ccc2nc(Nc3nc(-c4ccccc4)cc(=O)[nH]3)nc(C)c2c1
InChIInChI=1S/C21H19N5O2/c1-3-28-15-9-10-17-16(11-15)13(2)22-20(23-17)26-21-24-18(12-19(27)25-21)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H2,22,23,24,25,26,27)
InChIKeyQFNJJXXFRZYQKE-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.83
Rot. Bonds5

About 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one

2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one (PubChem CID 135490814) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one
PubChem CID135490814
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one
SMILESCCOc1ccc2nc(Nc3nc(-c4ccccc4)cc(=O)[nH]3)nc(C)c2c1
InChIInChI=1S/C21H19N5O2/c1-3-28-15-9-10-17-16(11-15)13(2)22-20(23-17)26-21-24-18(12-19(27)25-21)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H2,22,23,24,25,26,27)
InChIKeyQFNJJXXFRZYQKE-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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Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one (CID 135490814) is 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one is CCOc1ccc2nc(Nc3nc(-c4ccccc4)cc(=O)[nH]3)nc(C)c2c1.
What is the InChIKey of 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is QFNJJXXFRZYQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-3-28-15-9-10-17-16(11-15)13(2)22-20(23-17)26-21-24-18(12-19(27)25-21)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 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one?
2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-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 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135490814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).