6-(5-chloro-2-methoxyphenyl)-1,3,7-trimethylpyrido[3,2-d]pyrimidine-2,4-dione

C17H16ClN3O3 — CID 56926145

IUPAC6-(5-chloro-2-methoxyphenyl)-1,3,7-trimethylpyrido[3,2-d]pyrimidine-2,4-dione
SMILESCOc1ccc(Cl)cc1-c1nc2c(=O)n(C)c(=O)n(C)c2cc1C
InChIInChI=1S/C17H16ClN3O3/c1-9-7-12-15(16(22)21(3)17(23)20(12)2)19-14(9)11-8-10(18)5-6-13(11)24-4/h5-8H,1-4H3
InChIKeyGQDLCJYYPQCWRF-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.27
Rot. Bonds2

About 6-(5-chloro-2-methoxyphenyl)-1,3,7-trimethylpyrido[3,2-d]pyrimidine-2,4-dione

6-(5-chloro-2-methoxyphenyl)-1,3,7-trimethylpyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 56926145) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxyphenyl)-1,3,7-trimethylpyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(5-chloro-2-methoxyphenyl)-1,3,7-trimethylpyrido[3,2-d]pyrimidine-2,4-dione
PubChem CID56926145
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC Name6-(5-chloro-2-methoxyphenyl)-1,3,7-trimethylpyrido[3,2-d]pyrimidine-2,4-dione
SMILESCOc1ccc(Cl)cc1-c1nc2c(=O)n(C)c(=O)n(C)c2cc1C
InChIInChI=1S/C17H16ClN3O3/c1-9-7-12-15(16(22)21(3)17(23)20(12)2)19-14(9)11-8-10(18)5-6-13(11)24-4/h5-8H,1-4H3
InChIKeyGQDLCJYYPQCWRF-UHFFFAOYSA-N
XLogP2.27
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(5-chloro-2-methoxyphenyl)-1,3,7-trimethylpyrido[3,2-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

2-chloro-4-(5-chloro-2-methoxyphenyl)-5-methylpyrimidine
CID 79072753
4-chloro-6-(5-chloro-2-methoxyphenyl)-5-methylpyrimidin-2-amine
CID 86004326
5-chloro-2-methoxy-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
CID 20962012
1,3,5,6-tetramethylbenzimidazol-2-one
CID 23560568
3-(2-aminopropan-2-yl)-6-(5-chloro-2-methoxyphenyl)-1-methylpyridin-2-one
CID 82517234
6-(5-chloro-2-methoxyphenyl)-2-methyl-4-(sulfanylmethyl)pyridazin-3-one
CID 82444558
2-bromo-4-(5-chloro-2-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 66847284
2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 8018124
5-(2,4-dichlorophenyl)-6-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 4898949
5-chloro-1,3-dimethylbenzimidazol-2-one;ethane
CID 144584589
ethyl 5-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 118562617
3-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one
CID 106514741

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxyphenyl)-1,3,7-trimethylpyrido[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(5-chloro-2-methoxyphenyl)-1,3,7-trimethylpyrido[3,2-d]pyrimidine-2,4-dione (CID 56926145) is 6-(5-chloro-2-methoxyphenyl)-1,3,7-trimethylpyrido[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(5-chloro-2-methoxyphenyl)-1,3,7-trimethylpyrido[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(5-chloro-2-methoxyphenyl)-1,3,7-trimethylpyrido[3,2-d]pyrimidine-2,4-dione is COc1ccc(Cl)cc1-c1nc2c(=O)n(C)c(=O)n(C)c2cc1C.
What is the InChIKey of 6-(5-chloro-2-methoxyphenyl)-1,3,7-trimethylpyrido[3,2-d]pyrimidine-2,4-dione?
The InChIKey is GQDLCJYYPQCWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-9-7-12-15(16(22)21(3)17(23)20(12)2)19-14(9)11-8-10(18)5-6-13(11)24-4/h5-8H,1-4H3.
What are the key properties of 6-(5-chloro-2-methoxyphenyl)-1,3,7-trimethylpyrido[3,2-d]pyrimidine-2,4-dione?
6-(5-chloro-2-methoxyphenyl)-1,3,7-trimethylpyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 345.79 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methoxyphenyl)-1,3,7-trimethylpyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 56926145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).