4-hydroxy-5-propyl-2-(thiolan-2-yl)-1H-pyrimidin-6-one

C11H16N2O2S — CID 80620735

IUPAC4-hydroxy-5-propyl-2-(thiolan-2-yl)-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C2CCCS2)[nH]c1=O
InChIInChI=1S/C11H16N2O2S/c1-2-4-7-10(14)12-9(13-11(7)15)8-5-3-6-16-8/h8H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyCQDRRLYEBHNRKV-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.00
Rot. Bonds3

About 4-hydroxy-5-propyl-2-(thiolan-2-yl)-1H-pyrimidin-6-one

4-hydroxy-5-propyl-2-(thiolan-2-yl)-1H-pyrimidin-6-one (PubChem CID 80620735) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-hydroxy-5-propyl-2-(thiolan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-propyl-2-(thiolan-2-yl)-1H-pyrimidin-6-one
PubChem CID80620735
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name4-hydroxy-5-propyl-2-(thiolan-2-yl)-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C2CCCS2)[nH]c1=O
InChIInChI=1S/C11H16N2O2S/c1-2-4-7-10(14)12-9(13-11(7)15)8-5-3-6-16-8/h8H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyCQDRRLYEBHNRKV-UHFFFAOYSA-N
XLogP2.00
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-propyl-2-(thiolan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-propyl-2-(thiolan-2-yl)-1H-pyrimidin-6-one (CID 80620735) is 4-hydroxy-5-propyl-2-(thiolan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-propyl-2-(thiolan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-propyl-2-(thiolan-2-yl)-1H-pyrimidin-6-one is CCCc1c(O)nc(C2CCCS2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-propyl-2-(thiolan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is CQDRRLYEBHNRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-2-4-7-10(14)12-9(13-11(7)15)8-5-3-6-16-8/h8H,2-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-hydroxy-5-propyl-2-(thiolan-2-yl)-1H-pyrimidin-6-one?
4-hydroxy-5-propyl-2-(thiolan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 240.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-propyl-2-(thiolan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 80620735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).