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

C12H10FN3O2S — CID 90585442

IUPAC6-(3-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESO=S(=O)(c1cccc(F)c1)N1Cc2cncnc2C1
InChIInChI=1S/C12H10FN3O2S/c13-10-2-1-3-11(4-10)19(17,18)16-6-9-5-14-8-15-12(9)7-16/h1-5,8H,6-7H2
InChIKeySHBYRHJLWNQZRI-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.32
Rot. Bonds2

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

6-(3-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine (PubChem CID 90585442) has the molecular formula C12H10FN3O2S and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-(3-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-(3-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
PubChem CID90585442
Molecular FormulaC12H10FN3O2S
Molecular Weight279.30 g/mol
Exact Mass279.05
IUPAC Name6-(3-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESO=S(=O)(c1cccc(F)c1)N1Cc2cncnc2C1
InChIInChI=1S/C12H10FN3O2S/c13-10-2-1-3-11(4-10)19(17,18)16-6-9-5-14-8-15-12(9)7-16/h1-5,8H,6-7H2
InChIKeySHBYRHJLWNQZRI-UHFFFAOYSA-N
XLogP1.32
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.32
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-(3-chloro-4-methylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 90585468
6-(2,4-dimethylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 71805838
1-(3-fluorophenyl)sulfonyl-2,5-dihydropyrrole
CID 3830927
4-(3-fluorophenyl)sulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 97468902
6-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 90621156
6-(2,4-dimethoxyphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 90585489
1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 55352199
6-(5-ethylthiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 71805844
6-(4-methylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 90621137
N,N-diethyl-1-[2-(3-fluorophenyl)sulfonyl-1,3-dihydroisoindol-4-yl]piperidin-4-amine
CID 142592198
2-(3-fluorophenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 983821

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The IUPAC name of 6-(3-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine (CID 90585442) is 6-(3-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-(3-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 6-(3-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine is O=S(=O)(c1cccc(F)c1)N1Cc2cncnc2C1.
What is the InChIKey of 6-(3-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The InChIKey is SHBYRHJLWNQZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2S/c13-10-2-1-3-11(4-10)19(17,18)16-6-9-5-14-8-15-12(9)7-16/h1-5,8H,6-7H2.
What are the key properties of 6-(3-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
6-(3-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine has a molecular weight of 279.30 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 90585442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).