6-(2,4-dimethylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine

C14H15N3O2S — CID 71805838

IUPAC6-(2,4-dimethylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCc1ccc(S(=O)(=O)N2Cc3cncnc3C2)c(C)c1
InChIInChI=1S/C14H15N3O2S/c1-10-3-4-14(11(2)5-10)20(18,19)17-7-12-6-15-9-16-13(12)8-17/h3-6,9H,7-8H2,1-2H3
InChIKeyFPPDPJBOIJORGP-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.80
Rot. Bonds2

About 6-(2,4-dimethylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine

6-(2,4-dimethylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine (PubChem CID 71805838) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 6-(2,4-dimethylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-(2,4-dimethylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
PubChem CID71805838
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name6-(2,4-dimethylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCc1ccc(S(=O)(=O)N2Cc3cncnc3C2)c(C)c1
InChIInChI=1S/C14H15N3O2S/c1-10-3-4-14(11(2)5-10)20(18,19)17-7-12-6-15-9-16-13(12)8-17/h3-6,9H,7-8H2,1-2H3
InChIKeyFPPDPJBOIJORGP-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-methylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 90585438
6-(2,4-dimethoxyphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 90585489
6-(3-chloro-4-methylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 90585468
6-(4-methylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 90621137
6-(3-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 90585442
6-(5-ethylthiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 71805844
4-(1,3-dihydroisoindol-2-ylsulfonyl)-3-methylaniline
CID 62204285
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 78788595
4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721448
4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1-oxide
CID 110721585
3-chloro-4-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylsulfonyl)benzonitrile
CID 173160215
1-(2,4-dimethylphenyl)sulfonyl-4-methylpyrazole
CID 22771646

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The IUPAC name of 6-(2,4-dimethylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine (CID 71805838) is 6-(2,4-dimethylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-(2,4-dimethylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 6-(2,4-dimethylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine is Cc1ccc(S(=O)(=O)N2Cc3cncnc3C2)c(C)c1.
What is the InChIKey of 6-(2,4-dimethylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The InChIKey is FPPDPJBOIJORGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-10-3-4-14(11(2)5-10)20(18,19)17-7-12-6-15-9-16-13(12)8-17/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 6-(2,4-dimethylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
6-(2,4-dimethylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine has a molecular weight of 289.36 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 71805838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).