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

C10H11N3O — CID 59421461

IUPAC4-propyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCCCc1ncnc2[nH]c(=O)ccc12
InChIInChI=1S/C10H11N3O/c1-2-3-8-7-4-5-9(14)13-10(7)12-6-11-8/h4-6H,2-3H2,1H3,(H,11,12,13,14)
InChIKeyIWDFWSIYIAJFAT-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.27
Rot. Bonds2

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

4-propyl-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59421461) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-propyl-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-propyl-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID59421461
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-propyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCCCc1ncnc2[nH]c(=O)ccc12
InChIInChI=1S/C10H11N3O/c1-2-3-8-7-4-5-9(14)13-10(7)12-6-11-8/h4-6H,2-3H2,1H3,(H,11,12,13,14)
InChIKeyIWDFWSIYIAJFAT-UHFFFAOYSA-N
XLogP1.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-propyl-8H-pyrido[2,3-d]pyrimidin-7-one (CID 59421461) is 4-propyl-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-propyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-propyl-8H-pyrido[2,3-d]pyrimidin-7-one is CCCc1ncnc2[nH]c(=O)ccc12.
What is the InChIKey of 4-propyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is IWDFWSIYIAJFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-2-3-8-7-4-5-9(14)13-10(7)12-6-11-8/h4-6H,2-3H2,1H3,(H,11,12,13,14).
What are the key properties of 4-propyl-8H-pyrido[2,3-d]pyrimidin-7-one?
4-propyl-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 189.22 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59421461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).