2-methoxy-5-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one

C14H11N3O2 — CID 135904333

IUPAC2-methoxy-5-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1nc2nccc(-c3ccccc3)c2c(=O)[nH]1
InChIInChI=1S/C14H11N3O2/c1-19-14-16-12-11(13(18)17-14)10(7-8-15-12)9-5-3-2-4-6-9/h2-8H,1H3,(H,15,16,17,18)
InChIKeyGTNJAYDBQMMXAH-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.99
Rot. Bonds2

About 2-methoxy-5-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one

2-methoxy-5-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135904333) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-methoxy-5-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-5-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135904333
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-methoxy-5-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1nc2nccc(-c3ccccc3)c2c(=O)[nH]1
InChIInChI=1S/C14H11N3O2/c1-19-14-16-12-11(13(18)17-14)10(7-8-15-12)9-5-3-2-4-6-9/h2-8H,1H3,(H,15,16,17,18)
InChIKeyGTNJAYDBQMMXAH-UHFFFAOYSA-N
XLogP1.99
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-methoxy-5-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135904333) is 2-methoxy-5-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-methoxy-5-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-methoxy-5-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one is COc1nc2nccc(-c3ccccc3)c2c(=O)[nH]1.
What is the InChIKey of 2-methoxy-5-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is GTNJAYDBQMMXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-19-14-16-12-11(13(18)17-14)10(7-8-15-12)9-5-3-2-4-6-9/h2-8H,1H3,(H,15,16,17,18).
What are the key properties of 2-methoxy-5-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one?
2-methoxy-5-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 253.26 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135904333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).