7-(5-methoxypyrimidin-2-yl)-3H-quinazolin-4-one

C13H10N4O2 — CID 175827513

IUPAC7-(5-methoxypyrimidin-2-yl)-3H-quinazolin-4-one
SMILESCOc1cnc(-c2ccc3c(=O)[nH]cnc3c2)nc1
InChIInChI=1S/C13H10N4O2/c1-19-9-5-14-12(15-6-9)8-2-3-10-11(4-8)16-7-17-13(10)18/h2-7H,1H3,(H,16,17,18)
InChIKeyNETFREUVNYLFKB-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.39
Rot. Bonds2

About 7-(5-methoxypyrimidin-2-yl)-3H-quinazolin-4-one

7-(5-methoxypyrimidin-2-yl)-3H-quinazolin-4-one (PubChem CID 175827513) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 7-(5-methoxypyrimidin-2-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-(5-methoxypyrimidin-2-yl)-3H-quinazolin-4-one
PubChem CID175827513
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name7-(5-methoxypyrimidin-2-yl)-3H-quinazolin-4-one
SMILESCOc1cnc(-c2ccc3c(=O)[nH]cnc3c2)nc1
InChIInChI=1S/C13H10N4O2/c1-19-9-5-14-12(15-6-9)8-2-3-10-11(4-8)16-7-17-13(10)18/h2-7H,1H3,(H,16,17,18)
InChIKeyNETFREUVNYLFKB-UHFFFAOYSA-N
XLogP1.39
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(5-methoxypyrimidin-2-yl)-3H-quinazolin-4-one?
The IUPAC name of 7-(5-methoxypyrimidin-2-yl)-3H-quinazolin-4-one (CID 175827513) is 7-(5-methoxypyrimidin-2-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 7-(5-methoxypyrimidin-2-yl)-3H-quinazolin-4-one?
The canonical SMILES for 7-(5-methoxypyrimidin-2-yl)-3H-quinazolin-4-one is COc1cnc(-c2ccc3c(=O)[nH]cnc3c2)nc1.
What is the InChIKey of 7-(5-methoxypyrimidin-2-yl)-3H-quinazolin-4-one?
The InChIKey is NETFREUVNYLFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c1-19-9-5-14-12(15-6-9)8-2-3-10-11(4-8)16-7-17-13(10)18/h2-7H,1H3,(H,16,17,18).
What are the key properties of 7-(5-methoxypyrimidin-2-yl)-3H-quinazolin-4-one?
7-(5-methoxypyrimidin-2-yl)-3H-quinazolin-4-one has a molecular weight of 254.25 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methoxypyrimidin-2-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 175827513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).