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

C10H12ClN3O3 — CID 86628369

IUPAC4-chloro-2-(dimethoxymethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCOC(OC)c1nc(Cl)c2c(n1)NC(=O)CC2
InChIInChI=1S/C10H12ClN3O3/c1-16-10(17-2)9-13-7(11)5-3-4-6(15)12-8(5)14-9/h10H,3-4H2,1-2H3,(H,12,13,14,15)
InChIKeyFDRYAJQOSZIIFJ-UHFFFAOYSA-N
MW257.68 g/mol
LogP1.31
Rot. Bonds3

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

4-chloro-2-(dimethoxymethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 86628369) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is 4-chloro-2-(dimethoxymethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-chloro-2-(dimethoxymethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID86628369
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC Name4-chloro-2-(dimethoxymethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCOC(OC)c1nc(Cl)c2c(n1)NC(=O)CC2
InChIInChI=1S/C10H12ClN3O3/c1-16-10(17-2)9-13-7(11)5-3-4-6(15)12-8(5)14-9/h10H,3-4H2,1-2H3,(H,12,13,14,15)
InChIKeyFDRYAJQOSZIIFJ-UHFFFAOYSA-N
XLogP1.31
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(dimethoxymethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-chloro-2-(dimethoxymethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 86628369) is 4-chloro-2-(dimethoxymethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-chloro-2-(dimethoxymethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-chloro-2-(dimethoxymethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is COC(OC)c1nc(Cl)c2c(n1)NC(=O)CC2.
What is the InChIKey of 4-chloro-2-(dimethoxymethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is FDRYAJQOSZIIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3/c1-16-10(17-2)9-13-7(11)5-3-4-6(15)12-8(5)14-9/h10H,3-4H2,1-2H3,(H,12,13,14,15).
What are the key properties of 4-chloro-2-(dimethoxymethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
4-chloro-2-(dimethoxymethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 257.68 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(dimethoxymethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 86628369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).