4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one

C9H9N3O — CID 59421489

IUPAC4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCCc1ncnc2[nH]c(=O)ccc12
InChIInChI=1S/C9H9N3O/c1-2-7-6-3-4-8(13)12-9(6)11-5-10-7/h3-5H,2H2,1H3,(H,10,11,12,13)
InChIKeyQASCQRBFIAEPSR-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.88
Rot. Bonds1

About 4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one

4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59421489) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID59421489
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCCc1ncnc2[nH]c(=O)ccc12
InChIInChI=1S/C9H9N3O/c1-2-7-6-3-4-8(13)12-9(6)11-5-10-7/h3-5H,2H2,1H3,(H,10,11,12,13)
InChIKeyQASCQRBFIAEPSR-UHFFFAOYSA-N
XLogP0.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one (CID 59421489) is 4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one is CCc1ncnc2[nH]c(=O)ccc12.
What is the InChIKey of 4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QASCQRBFIAEPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-2-7-6-3-4-8(13)12-9(6)11-5-10-7/h3-5H,2H2,1H3,(H,10,11,12,13).
What are the key properties of 4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one?
4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 175.19 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59421489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).