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

C16H19N3O3S — CID 90585493

IUPAC6-[4-(2-methylpropoxy)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCC(C)COc1ccc(S(=O)(=O)N2Cc3cncnc3C2)cc1
InChIInChI=1S/C16H19N3O3S/c1-12(2)10-22-14-3-5-15(6-4-14)23(20,21)19-8-13-7-17-11-18-16(13)9-19/h3-7,11-12H,8-10H2,1-2H3
InChIKeyULFVDQXDICPKSQ-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.22
Rot. Bonds5

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

6-[4-(2-methylpropoxy)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine (PubChem CID 90585493) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 6-[4-(2-methylpropoxy)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-[4-(2-methylpropoxy)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
PubChem CID90585493
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name6-[4-(2-methylpropoxy)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCC(C)COc1ccc(S(=O)(=O)N2Cc3cncnc3C2)cc1
InChIInChI=1S/C16H19N3O3S/c1-12(2)10-22-14-3-5-15(6-4-14)23(20,21)19-8-13-7-17-11-18-16(13)9-19/h3-7,11-12H,8-10H2,1-2H3
InChIKeyULFVDQXDICPKSQ-UHFFFAOYSA-N
XLogP2.22
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-[4-(2-chlorophenoxy)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 72719553
6-(2,4-dimethoxyphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 90585489
1-[4-(2-methylpropoxy)phenyl]sulfonylpiperazine
CID 43362237
6-(4-methylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 90621137
6-(5-ethylthiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 71805844
1-(2-methylpropoxy)-4-[4-(2-methylpropoxy)phenyl]sulfonylbenzene
CID 22131571
6-(2,4-dimethylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 71805838
N-methyl-1-[1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119978171
N-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrrolidin-3-amine
CID 115300371
6-(5-bromothiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 90585499

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methylpropoxy)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The IUPAC name of 6-[4-(2-methylpropoxy)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine (CID 90585493) is 6-[4-(2-methylpropoxy)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-[4-(2-methylpropoxy)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 6-[4-(2-methylpropoxy)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine is CC(C)COc1ccc(S(=O)(=O)N2Cc3cncnc3C2)cc1.
What is the InChIKey of 6-[4-(2-methylpropoxy)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The InChIKey is ULFVDQXDICPKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-12(2)10-22-14-3-5-15(6-4-14)23(20,21)19-8-13-7-17-11-18-16(13)9-19/h3-7,11-12H,8-10H2,1-2H3.
What are the key properties of 6-[4-(2-methylpropoxy)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
6-[4-(2-methylpropoxy)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine has a molecular weight of 333.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methylpropoxy)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 90585493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).