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

C14H15N3O4S — CID 90585489

IUPAC6-(2,4-dimethoxyphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCOc1ccc(S(=O)(=O)N2Cc3cncnc3C2)c(OC)c1
InChIInChI=1S/C14H15N3O4S/c1-20-11-3-4-14(13(5-11)21-2)22(18,19)17-7-10-6-15-9-16-12(10)8-17/h3-6,9H,7-8H2,1-2H3
InChIKeyYVJDEVRVVUIFHO-UHFFFAOYSA-N
MW321.36 g/mol
LogP1.20
Rot. Bonds4

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

6-(2,4-dimethoxyphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine (PubChem CID 90585489) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is 6-(2,4-dimethoxyphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-(2,4-dimethoxyphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
PubChem CID90585489
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC Name6-(2,4-dimethoxyphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCOc1ccc(S(=O)(=O)N2Cc3cncnc3C2)c(OC)c1
InChIInChI=1S/C14H15N3O4S/c1-20-11-3-4-14(13(5-11)21-2)22(18,19)17-7-10-6-15-9-16-12(10)8-17/h3-6,9H,7-8H2,1-2H3
InChIKeyYVJDEVRVVUIFHO-UHFFFAOYSA-N
XLogP1.20
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(2,4-dimethoxyphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-methylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 90585438
1-(2,4-dimethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684107
6-(3-chloro-4-methylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 90585468
6-(5-ethylthiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 71805844
4-(2,4-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 19682685
[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 110364631
1-cyclopropyl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine
CID 110708580
N-cyclopentyl-1-(2,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 113003005
(4R,5R)-1,3-bis[(2,4-dimethoxyphenyl)sulfonyl]-4,5-dimethoxyimidazolidin-2-one
CID 57401834
1-(2,4-dimethoxyphenyl)sulfonyl-2-methylpiperidine
CID 19682578
[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605335
1-(2,4-dimethoxyphenyl)sulfonyl-N,N-dimethylpiperidine-4-carboxamide
CID 110350848

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxyphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The IUPAC name of 6-(2,4-dimethoxyphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine (CID 90585489) is 6-(2,4-dimethoxyphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-(2,4-dimethoxyphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 6-(2,4-dimethoxyphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine is COc1ccc(S(=O)(=O)N2Cc3cncnc3C2)c(OC)c1.
What is the InChIKey of 6-(2,4-dimethoxyphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The InChIKey is YVJDEVRVVUIFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-20-11-3-4-14(13(5-11)21-2)22(18,19)17-7-10-6-15-9-16-12(10)8-17/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 6-(2,4-dimethoxyphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
6-(2,4-dimethoxyphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine has a molecular weight of 321.36 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethoxyphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 90585489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).