4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one

C7H10N2O2S — CID 3722602

IUPAC4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one
SMILESCCCSc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C7H10N2O2S/c1-2-3-12-7-8-5(10)4-6(11)9-7/h4H,2-3H2,1H3,(H2,8,9,10,11)
InChIKeyJNDANYQUROGPBP-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.98
Rot. Bonds3

About 4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one

4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one (PubChem CID 3722602) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one
PubChem CID3722602
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one
SMILESCCCSc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C7H10N2O2S/c1-2-3-12-7-8-5(10)4-6(11)9-7/h4H,2-3H2,1H3,(H2,8,9,10,11)
InChIKeyJNDANYQUROGPBP-UHFFFAOYSA-N
XLogP0.98
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one (CID 3722602) is 4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one is CCCSc1nc(O)cc(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is JNDANYQUROGPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-2-3-12-7-8-5(10)4-6(11)9-7/h4H,2-3H2,1H3,(H2,8,9,10,11).
What are the key properties of 4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one?
4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 186.24 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 3722602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).