4-chloro-5-ethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C9H10ClN3O — CID 87273687

IUPAC4-chloro-5-ethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCCC1CC(=O)Nc2ncnc(Cl)c21
InChIInChI=1S/C9H10ClN3O/c1-2-5-3-6(14)13-9-7(5)8(10)11-4-12-9/h4-5H,2-3H2,1H3,(H,11,12,13,14)
InChIKeyKGJWKEMRTROKIO-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.97
Rot. Bonds1

About 4-chloro-5-ethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

4-chloro-5-ethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 87273687) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 4-chloro-5-ethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-chloro-5-ethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID87273687
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name4-chloro-5-ethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCCC1CC(=O)Nc2ncnc(Cl)c21
InChIInChI=1S/C9H10ClN3O/c1-2-5-3-6(14)13-9-7(5)8(10)11-4-12-9/h4-5H,2-3H2,1H3,(H,11,12,13,14)
InChIKeyKGJWKEMRTROKIO-UHFFFAOYSA-N
XLogP1.97
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-chloro-5-ethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 87273687) is 4-chloro-5-ethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-chloro-5-ethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-chloro-5-ethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is CCC1CC(=O)Nc2ncnc(Cl)c21.
What is the InChIKey of 4-chloro-5-ethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is KGJWKEMRTROKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c1-2-5-3-6(14)13-9-7(5)8(10)11-4-12-9/h4-5H,2-3H2,1H3,(H,11,12,13,14).
What are the key properties of 4-chloro-5-ethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
4-chloro-5-ethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 211.65 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 87273687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).