2-(2-ethoxyphenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one

C15H17N3O2 — CID 137012915

IUPAC2-(2-ethoxyphenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCCOc1ccccc1-c1nc2c(c(=O)[nH]1)CCCN2
InChIInChI=1S/C15H17N3O2/c1-2-20-12-8-4-3-6-10(12)14-17-13-11(15(19)18-14)7-5-9-16-13/h3-4,6,8H,2,5,7,9H2,1H3,(H2,16,17,18,19)
InChIKeyQVNFFYPPNHFMHQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.19
Rot. Bonds3

About 2-(2-ethoxyphenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one

2-(2-ethoxyphenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 137012915) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID137012915
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(2-ethoxyphenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCCOc1ccccc1-c1nc2c(c(=O)[nH]1)CCCN2
InChIInChI=1S/C15H17N3O2/c1-2-20-12-8-4-3-6-10(12)14-17-13-11(15(19)18-14)7-5-9-16-13/h3-4,6,8H,2,5,7,9H2,1H3,(H2,16,17,18,19)
InChIKeyQVNFFYPPNHFMHQ-UHFFFAOYSA-N
XLogP2.19
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2-ethoxyphenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (CID 137012915) is 2-(2-ethoxyphenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-ethoxyphenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-ethoxyphenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is CCOc1ccccc1-c1nc2c(c(=O)[nH]1)CCCN2.
What is the InChIKey of 2-(2-ethoxyphenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is QVNFFYPPNHFMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-20-12-8-4-3-6-10(12)14-17-13-11(15(19)18-14)7-5-9-16-13/h3-4,6,8H,2,5,7,9H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-(2-ethoxyphenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
2-(2-ethoxyphenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 271.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137012915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).