6-(4-methoxyphenyl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C15H17N3O3S — CID 53147461

IUPAC6-(4-methoxyphenyl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccc(S(=O)(=O)N2CCc3nc(C)ncc3C2)cc1
InChIInChI=1S/C15H17N3O3S/c1-11-16-9-12-10-18(8-7-15(12)17-11)22(19,20)14-5-3-13(21-2)4-6-14/h3-6,9H,7-8,10H2,1-2H3
InChIKeyXECOHUGJVJNLRD-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.54
Rot. Bonds3

About 6-(4-methoxyphenyl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(4-methoxyphenyl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 53147461) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID53147461
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name6-(4-methoxyphenyl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccc(S(=O)(=O)N2CCc3nc(C)ncc3C2)cc1
InChIInChI=1S/C15H17N3O3S/c1-11-16-9-12-10-18(8-7-15(12)17-11)22(19,20)14-5-3-13(21-2)4-6-14/h3-6,9H,7-8,10H2,1-2H3
InChIKeyXECOHUGJVJNLRD-UHFFFAOYSA-N
XLogP1.54
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methoxyphenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 53147416
N-(3,5-dimethoxyphenyl)-6-(3,4-dimethylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 50787288
N-(3,5-dimethoxyphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 50787287
6-(4-methylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 90621137
N-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53014130
7-(3-methoxyphenyl)sulfonyl-2-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
CID 24732775
ethene;1-(4-methoxyphenyl)sulfonylpiperidin-4-one
CID 67569957
7-(benzenesulfonyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine
CID 59490619
N-[5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-4-methylbenzamide
CID 50832309
11-(3-methoxyphenyl)sulfonyl-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene
CID 90628428
4-methyl-11-(4-propan-2-yloxyphenyl)sulfonyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene
CID 90628496
6-[4-(2-chlorophenoxy)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 72719553

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(4-methoxyphenyl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 53147461) is 6-(4-methoxyphenyl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(4-methoxyphenyl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(4-methoxyphenyl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1ccc(S(=O)(=O)N2CCc3nc(C)ncc3C2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is XECOHUGJVJNLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-11-16-9-12-10-18(8-7-15(12)17-11)22(19,20)14-5-3-13(21-2)4-6-14/h3-6,9H,7-8,10H2,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(4-methoxyphenyl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 319.39 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 53147461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).