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

C9H12N2OS — CID 19353471

IUPAC4-methoxy-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCOc1nc(SC)nc2c1CCC2
InChIInChI=1S/C9H12N2OS/c1-12-8-6-4-3-5-7(6)10-9(11-8)13-2/h3-5H2,1-2H3
InChIKeyNKCXLXGMYRXLDR-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.70
Rot. Bonds2

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

4-methoxy-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 19353471) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 4-methoxy-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID19353471
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name4-methoxy-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCOc1nc(SC)nc2c1CCC2
InChIInChI=1S/C9H12N2OS/c1-12-8-6-4-3-5-7(6)10-9(11-8)13-2/h3-5H2,1-2H3
InChIKeyNKCXLXGMYRXLDR-UHFFFAOYSA-N
XLogP1.70
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-methoxy-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 19353471) is 4-methoxy-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-methoxy-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-methoxy-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is COc1nc(SC)nc2c1CCC2.
What is the InChIKey of 4-methoxy-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is NKCXLXGMYRXLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-12-8-6-4-3-5-7(6)10-9(11-8)13-2/h3-5H2,1-2H3.
What are the key properties of 4-methoxy-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-methoxy-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 196.27 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 19353471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).