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

C14H15N3O2S — CID 90621137

IUPAC6-(4-methylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ccc(S(=O)(=O)N2CCc3ncncc3C2)cc1
InChIInChI=1S/C14H15N3O2S/c1-11-2-4-13(5-3-11)20(18,19)17-7-6-14-12(9-17)8-15-10-16-14/h2-5,8,10H,6-7,9H2,1H3
InChIKeyFQFVVNGXNSSZFQ-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.53
Rot. Bonds2

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

6-(4-methylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 90621137) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 6-(4-methylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(4-methylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID90621137
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name6-(4-methylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ccc(S(=O)(=O)N2CCc3ncncc3C2)cc1
InChIInChI=1S/C14H15N3O2S/c1-11-2-4-13(5-3-11)20(18,19)17-7-6-14-12(9-17)8-15-10-16-14/h2-5,8,10H,6-7,9H2,1H3
InChIKeyFQFVVNGXNSSZFQ-UHFFFAOYSA-N
XLogP1.53
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(2-chlorophenoxy)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 72719553
6-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 90621156
6-(3-methylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 90585438
5-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-ylsulfonyl)-3H-1,3-benzoxazol-2-one
CID 90621143
6-(3-chloro-4-methylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 90585468
6-(4-nitrophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 90585464
6-(4-methoxyphenyl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 53147461
6-(2,4-dimethylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 71805838
6-[4-(2-methylpropoxy)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 90585493
2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110294128
3-(4-methylphenyl)sulfonyl-6-phenyl-2,4-dihydro-1H-benzo[f]isoquinoline
CID 102289711
4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 121187247

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(4-methylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 90621137) is 6-(4-methylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(4-methylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(4-methylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1ccc(S(=O)(=O)N2CCc3ncncc3C2)cc1.
What is the InChIKey of 6-(4-methylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is FQFVVNGXNSSZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-11-2-4-13(5-3-11)20(18,19)17-7-6-14-12(9-17)8-15-10-16-14/h2-5,8,10H,6-7,9H2,1H3.
What are the key properties of 6-(4-methylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(4-methylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 289.36 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 90621137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).