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

C9H10ClN3O2 — CID 172576494

IUPAC2-chloro-4-ethoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCCOc1nc(Cl)nc2c1C(=O)NCC2
InChIInChI=1S/C9H10ClN3O2/c1-2-15-8-6-5(12-9(10)13-8)3-4-11-7(6)14/h2-4H2,1H3,(H,11,14)
InChIKeyNWXWAGJTFANEBZ-UHFFFAOYSA-N
MW227.65 g/mol
LogP0.81
Rot. Bonds2

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

2-chloro-4-ethoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 172576494) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is 2-chloro-4-ethoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-chloro-4-ethoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID172576494
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name2-chloro-4-ethoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCCOc1nc(Cl)nc2c1C(=O)NCC2
InChIInChI=1S/C9H10ClN3O2/c1-2-15-8-6-5(12-9(10)13-8)3-4-11-7(6)14/h2-4H2,1H3,(H,11,14)
InChIKeyNWXWAGJTFANEBZ-UHFFFAOYSA-N
XLogP0.81
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-chloro-4-ethoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (CID 172576494) is 2-chloro-4-ethoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-chloro-4-ethoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-chloro-4-ethoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is CCOc1nc(Cl)nc2c1C(=O)NCC2.
What is the InChIKey of 2-chloro-4-ethoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is NWXWAGJTFANEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c1-2-15-8-6-5(12-9(10)13-8)3-4-11-7(6)14/h2-4H2,1H3,(H,11,14).
What are the key properties of 2-chloro-4-ethoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
2-chloro-4-ethoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 227.65 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 172576494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).