2-propylsulfanyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

C10H14N2OS — CID 135773835

IUPAC2-propylsulfanyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCCCSc1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C10H14N2OS/c1-2-6-14-10-11-8-5-3-4-7(8)9(13)12-10/h2-6H2,1H3,(H,11,12,13)
InChIKeyNTASIUGWNBHXPR-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.76
Rot. Bonds3

About 2-propylsulfanyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

2-propylsulfanyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 135773835) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-propylsulfanyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-propylsulfanyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID135773835
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name2-propylsulfanyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCCCSc1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C10H14N2OS/c1-2-6-14-10-11-8-5-3-4-7(8)9(13)12-10/h2-6H2,1H3,(H,11,12,13)
InChIKeyNTASIUGWNBHXPR-UHFFFAOYSA-N
XLogP1.76
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propylsulfanyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-propylsulfanyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 135773835) is 2-propylsulfanyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-propylsulfanyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-propylsulfanyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is CCCSc1nc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of 2-propylsulfanyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is NTASIUGWNBHXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-2-6-14-10-11-8-5-3-4-7(8)9(13)12-10/h2-6H2,1H3,(H,11,12,13).
What are the key properties of 2-propylsulfanyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-propylsulfanyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 210.30 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfanyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 135773835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).