6-ethyl-4-phenyl-1H-pyrido[3,2-d]pyrimidin-2-one

C15H13N3O — CID 110181275

IUPAC6-ethyl-4-phenyl-1H-pyrido[3,2-d]pyrimidin-2-one
SMILESCCc1ccc2[nH]c(=O)nc(-c3ccccc3)c2n1
InChIInChI=1S/C15H13N3O/c1-2-11-8-9-12-14(16-11)13(18-15(19)17-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,17,18,19)
InChIKeyFHFMJSMVOHMQLQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.55
Rot. Bonds2

About 6-ethyl-4-phenyl-1H-pyrido[3,2-d]pyrimidin-2-one

6-ethyl-4-phenyl-1H-pyrido[3,2-d]pyrimidin-2-one (PubChem CID 110181275) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 6-ethyl-4-phenyl-1H-pyrido[3,2-d]pyrimidin-2-one.

Molecular Properties

Compound Name6-ethyl-4-phenyl-1H-pyrido[3,2-d]pyrimidin-2-one
PubChem CID110181275
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name6-ethyl-4-phenyl-1H-pyrido[3,2-d]pyrimidin-2-one
SMILESCCc1ccc2[nH]c(=O)nc(-c3ccccc3)c2n1
InChIInChI=1S/C15H13N3O/c1-2-11-8-9-12-14(16-11)13(18-15(19)17-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,17,18,19)
InChIKeyFHFMJSMVOHMQLQ-UHFFFAOYSA-N
XLogP2.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-phenyl-1H-pyrido[3,2-d]pyrimidin-2-one?
The IUPAC name of 6-ethyl-4-phenyl-1H-pyrido[3,2-d]pyrimidin-2-one (CID 110181275) is 6-ethyl-4-phenyl-1H-pyrido[3,2-d]pyrimidin-2-one.
What is the SMILES notation for 6-ethyl-4-phenyl-1H-pyrido[3,2-d]pyrimidin-2-one?
The canonical SMILES for 6-ethyl-4-phenyl-1H-pyrido[3,2-d]pyrimidin-2-one is CCc1ccc2[nH]c(=O)nc(-c3ccccc3)c2n1.
What is the InChIKey of 6-ethyl-4-phenyl-1H-pyrido[3,2-d]pyrimidin-2-one?
The InChIKey is FHFMJSMVOHMQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-2-11-8-9-12-14(16-11)13(18-15(19)17-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,17,18,19).
What are the key properties of 6-ethyl-4-phenyl-1H-pyrido[3,2-d]pyrimidin-2-one?
6-ethyl-4-phenyl-1H-pyrido[3,2-d]pyrimidin-2-one has a molecular weight of 251.29 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-phenyl-1H-pyrido[3,2-d]pyrimidin-2-one is sourced from PubChem (CID 110181275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).