2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide

C7H8N2O2S — CID 15264190

IUPAC2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
SMILESCc1ncc2c(n1)CS(=O)(=O)C2
InChIInChI=1S/C7H8N2O2S/c1-5-8-2-6-3-12(10,11)4-7(6)9-5/h2H,3-4H2,1H3
InChIKeyMTCOTZKQAULAAP-UHFFFAOYSA-N
MW184.22 g/mol
LogP0.21
Rot. Bonds

About 2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide

2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide (PubChem CID 15264190) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is 2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide.

Molecular Properties

Compound Name2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
PubChem CID15264190
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Name2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
SMILESCc1ncc2c(n1)CS(=O)(=O)C2
InChIInChI=1S/C7H8N2O2S/c1-5-8-2-6-3-12(10,11)4-7(6)9-5/h2H,3-4H2,1H3
InChIKeyMTCOTZKQAULAAP-UHFFFAOYSA-N
XLogP0.21
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-Dihydro-2-methylthieno(3,4-d)pyrimidine
CID 61951
2-Chloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
CID 105456939
5,7-Dihydrothieno[3,4-d]pyrimidine
CID 22950284
6-(isopropylsulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 90585434
4-[5-Methyl-4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide
CID 130244046
3-[5-(Bromomethyl)-4-(trifluoromethyl)pyrimidin-2-yl]thiolane 1,1-dioxide
CID 114205615
5-(Bromomethyl)-2-(1-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidine
CID 114205619
3-[5-(Bromomethyl)-4-(difluoromethyl)pyrimidin-2-yl]thiolane 1,1-dioxide
CID 114205861
[2-(1-Methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
CID 114205982
(4-Methylpyrimidin-5-yl)methanesulfonyl fluoride
CID 165869032
6-(methylsulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 71805828
6-(cyclopropylsulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 71805830

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
The IUPAC name of 2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide (CID 15264190) is 2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide.
What is the SMILES notation for 2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
The canonical SMILES for 2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide is Cc1ncc2c(n1)CS(=O)(=O)C2.
What is the InChIKey of 2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
The InChIKey is MTCOTZKQAULAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S/c1-5-8-2-6-3-12(10,11)4-7(6)9-5/h2H,3-4H2,1H3.
What are the key properties of 2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide has a molecular weight of 184.22 g/mol, XLogP of 0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide is sourced from PubChem (CID 15264190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).