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

C10H11ClN2O2S — CID 59686301

IUPAC4-chloro-2-cyclobutyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
SMILESO=S1(=O)Cc2nc(C3CCC3)nc(Cl)c2C1
InChIInChI=1S/C10H11ClN2O2S/c11-9-7-4-16(14,15)5-8(7)12-10(13-9)6-2-1-3-6/h6H,1-5H2
InChIKeyISVXDCLNCGCNFH-UHFFFAOYSA-N
MW258.73 g/mol
LogP1.83
Rot. Bonds1

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

4-chloro-2-cyclobutyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide (PubChem CID 59686301) has the molecular formula C10H11ClN2O2S and a molecular weight of 258.73 g/mol. Its IUPAC name is 4-chloro-2-cyclobutyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide.

Molecular Properties

Compound Name4-chloro-2-cyclobutyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
PubChem CID59686301
Molecular FormulaC10H11ClN2O2S
Molecular Weight258.73 g/mol
Exact Mass258.02
IUPAC Name4-chloro-2-cyclobutyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
SMILESO=S1(=O)Cc2nc(C3CCC3)nc(Cl)c2C1
InChIInChI=1S/C10H11ClN2O2S/c11-9-7-4-16(14,15)5-8(7)12-10(13-9)6-2-1-3-6/h6H,1-5H2
InChIKeyISVXDCLNCGCNFH-UHFFFAOYSA-N
XLogP1.83
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-5,7-dihydro-2-methylthieno(3,4-d)pyrimidine
CID 79796
2,4-Dichloro-7-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
CID 89487319
2,4-dichloro-5H,7H-6lambda6-thieno(3,4-d)pyrimidine-6,6-dione
CID 89487453
4-Chloro-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidine
CID 83191317
4-Chloro-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidine
CID 83196239
4-Chloro-2-(3,3-difluorocyclohexyl)-5,7-dihydrothieno[3,4-d]pyrimidine
CID 114215418
3-(4-Chloro-5-fluoro-6-methylpyrimidin-2-yl)thiolane 1,1-dioxide
CID 115336174
Thieno[3,4-d]pyrimidine, 4-chloro-5,7-dihydro-2-methyl-, 6,6-dioxide
CID 10998501
4-Chloro-2-cyclopropyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
CID 59686253
4-Chloro-2-cyclopentyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
CID 59686287
4-Chloro-2-cyclobutyl-5,7-dihydrothieno[3,4-d]pyrimidine
CID 59686291
4-Chloro-2-cyclopentyl-5,7-dihydrothieno[3,4-d]pyrimidine
CID 59686294

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclobutyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
The IUPAC name of 4-chloro-2-cyclobutyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide (CID 59686301) is 4-chloro-2-cyclobutyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide.
What is the SMILES notation for 4-chloro-2-cyclobutyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
The canonical SMILES for 4-chloro-2-cyclobutyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide is O=S1(=O)Cc2nc(C3CCC3)nc(Cl)c2C1.
What is the InChIKey of 4-chloro-2-cyclobutyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
The InChIKey is ISVXDCLNCGCNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S/c11-9-7-4-16(14,15)5-8(7)12-10(13-9)6-2-1-3-6/h6H,1-5H2.
What are the key properties of 4-chloro-2-cyclobutyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide?
4-chloro-2-cyclobutyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide has a molecular weight of 258.73 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclobutyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide is sourced from PubChem (CID 59686301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).