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

C10H14N2O3S — CID 172576456

IUPAC2-methyl-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
SMILESCc1nc2c(c(OC(C)C)n1)CS(=O)(=O)C2
InChIInChI=1S/C10H14N2O3S/c1-6(2)15-10-8-4-16(13,14)5-9(8)11-7(3)12-10/h6H,4-5H2,1-3H3
InChIKeySIDHKYQHEPIHKV-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.00
Rot. Bonds2

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

2-methyl-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide (PubChem CID 172576456) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-methyl-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide.

Molecular Properties

Compound Name2-methyl-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
PubChem CID172576456
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-methyl-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
SMILESCc1nc2c(c(OC(C)C)n1)CS(=O)(=O)C2
InChIInChI=1S/C10H14N2O3S/c1-6(2)15-10-8-4-16(13,14)5-9(8)11-7(3)12-10/h6H,4-5H2,1-3H3
InChIKeySIDHKYQHEPIHKV-UHFFFAOYSA-N
XLogP1.00
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
The IUPAC name of 2-methyl-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide (CID 172576456) is 2-methyl-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide.
What is the SMILES notation for 2-methyl-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
The canonical SMILES for 2-methyl-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide is Cc1nc2c(c(OC(C)C)n1)CS(=O)(=O)C2.
What is the InChIKey of 2-methyl-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
The InChIKey is SIDHKYQHEPIHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-6(2)15-10-8-4-16(13,14)5-9(8)11-7(3)12-10/h6H,4-5H2,1-3H3.
What are the key properties of 2-methyl-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
2-methyl-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide has a molecular weight of 242.30 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-yloxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide is sourced from PubChem (CID 172576456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).