7-(dichloromethyl)-6-(2-hydroxybenzoyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C17H13Cl2N3O4 — CID 134835130

IUPAC7-(dichloromethyl)-6-(2-hydroxybenzoyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2cc(C(=O)c3ccccc3O)c(C(Cl)Cl)nc2n(C)c1=O
InChIInChI=1S/C17H13Cl2N3O4/c1-21-15-10(16(25)22(2)17(21)26)7-9(12(20-15)14(18)19)13(24)8-5-3-4-6-11(8)23/h3-7,14,23H,1-2H3
InChIKeyMTLFJSRRGUYYCC-UHFFFAOYSA-N
MW394.21 g/mol
LogP2.05
Rot. Bonds3

About 7-(dichloromethyl)-6-(2-hydroxybenzoyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

7-(dichloromethyl)-6-(2-hydroxybenzoyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 134835130) has the molecular formula C17H13Cl2N3O4 and a molecular weight of 394.21 g/mol. Its IUPAC name is 7-(dichloromethyl)-6-(2-hydroxybenzoyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-(dichloromethyl)-6-(2-hydroxybenzoyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID134835130
Molecular FormulaC17H13Cl2N3O4
Molecular Weight394.21 g/mol
Exact Mass393.03
IUPAC Name7-(dichloromethyl)-6-(2-hydroxybenzoyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2cc(C(=O)c3ccccc3O)c(C(Cl)Cl)nc2n(C)c1=O
InChIInChI=1S/C17H13Cl2N3O4/c1-21-15-10(16(25)22(2)17(21)26)7-9(12(20-15)14(18)19)13(24)8-5-3-4-6-11(8)23/h3-7,14,23H,1-2H3
InChIKeyMTLFJSRRGUYYCC-UHFFFAOYSA-N
XLogP2.05
TPSA94.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1,3,7-trimethyl-2,6-dioxopurin-8-yl) 2-hydroxybenzoate
CID 57294706
4,6-dimethyl-12,14-diphenyl-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1(10),2,8-triene-5,7,11,13-tetrone
CID 14042826
6-(1-hydroxyethyl)-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 66490017
N-(3-chlorophenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 66498793
methyl 3-(2-hydroxybenzoyl)-1-methyl-2-oxoquinoline-5-carboxylate
CID 54758169
sodium;1,3-dimethyl-7H-purine-2,6-dione;2-hydroxybenzoate
CID 69117889
7-amino-6-(aminomethyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;(2-methylphenyl)methanamine
CID 143186326
methyl 6-(2-hydroxybenzoyl)-1,3-dimethyl-2-sulfanylideneimidazo[4,5-b]pyridine-5-carboxylate
CID 50901709
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-phenylbutanamide
CID 134008986
1,3,7-trimethyl-2,4-dioxo-N-[(1R)-1-phenylethyl]pyrido[2,3-d]pyrimidine-5-carboxamide
CID 93068970
methyl 5-(2-hydroxybenzoyl)-3-oxo-2-phenyl-1H-pyrazolo[3,4-b]pyridine-6-carboxylate
CID 50901707
1,3-dimethyl-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 51109198

Frequently Asked Questions

What is the IUPAC name of 7-(dichloromethyl)-6-(2-hydroxybenzoyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-(dichloromethyl)-6-(2-hydroxybenzoyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 134835130) is 7-(dichloromethyl)-6-(2-hydroxybenzoyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-(dichloromethyl)-6-(2-hydroxybenzoyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-(dichloromethyl)-6-(2-hydroxybenzoyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2cc(C(=O)c3ccccc3O)c(C(Cl)Cl)nc2n(C)c1=O.
What is the InChIKey of 7-(dichloromethyl)-6-(2-hydroxybenzoyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is MTLFJSRRGUYYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O4/c1-21-15-10(16(25)22(2)17(21)26)7-9(12(20-15)14(18)19)13(24)8-5-3-4-6-11(8)23/h3-7,14,23H,1-2H3.
What are the key properties of 7-(dichloromethyl)-6-(2-hydroxybenzoyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
7-(dichloromethyl)-6-(2-hydroxybenzoyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 394.21 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dichloromethyl)-6-(2-hydroxybenzoyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 134835130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).