4-methoxy-2-methylsulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C9H12N2O3S — CID 12073753

IUPAC4-methoxy-2-methylsulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCOc1nc(S(C)(=O)=O)nc2c1CCC2
InChIInChI=1S/C9H12N2O3S/c1-14-8-6-4-3-5-7(6)10-9(11-8)15(2,12)13/h3-5H2,1-2H3
InChIKeyNDUWTEODPCRVAE-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.38
Rot. Bonds2

About 4-methoxy-2-methylsulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-methoxy-2-methylsulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 12073753) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 4-methoxy-2-methylsulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-methylsulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID12073753
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name4-methoxy-2-methylsulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCOc1nc(S(C)(=O)=O)nc2c1CCC2
InChIInChI=1S/C9H12N2O3S/c1-14-8-6-4-3-5-7(6)10-9(11-8)15(2,12)13/h3-5H2,1-2H3
InChIKeyNDUWTEODPCRVAE-UHFFFAOYSA-N
XLogP0.38
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methylsulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-methoxy-2-methylsulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 12073753) is 4-methoxy-2-methylsulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-methoxy-2-methylsulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-methoxy-2-methylsulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is COc1nc(S(C)(=O)=O)nc2c1CCC2.
What is the InChIKey of 4-methoxy-2-methylsulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is NDUWTEODPCRVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-14-8-6-4-3-5-7(6)10-9(11-8)15(2,12)13/h3-5H2,1-2H3.
What are the key properties of 4-methoxy-2-methylsulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-methoxy-2-methylsulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 228.27 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methylsulfonyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 12073753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).