4-(2-hydroxyethylsulfanyl)-5-methoxy-1H-pyrimidin-6-one

C7H10N2O3S — CID 114578905

IUPAC4-(2-hydroxyethylsulfanyl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(SCCO)nc[nH]c1=O
InChIInChI=1S/C7H10N2O3S/c1-12-5-6(11)8-4-9-7(5)13-3-2-10/h4,10H,2-3H2,1H3,(H,8,9,11)
InChIKeyGNFVVRVFFJRZPU-UHFFFAOYSA-N
MW202.23 g/mol
LogP-0.14
Rot. Bonds4

About 4-(2-hydroxyethylsulfanyl)-5-methoxy-1H-pyrimidin-6-one

4-(2-hydroxyethylsulfanyl)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 114578905) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is 4-(2-hydroxyethylsulfanyl)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-hydroxyethylsulfanyl)-5-methoxy-1H-pyrimidin-6-one
PubChem CID114578905
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name4-(2-hydroxyethylsulfanyl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(SCCO)nc[nH]c1=O
InChIInChI=1S/C7H10N2O3S/c1-12-5-6(11)8-4-9-7(5)13-3-2-10/h4,10H,2-3H2,1H3,(H,8,9,11)
InChIKeyGNFVVRVFFJRZPU-UHFFFAOYSA-N
XLogP-0.14
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylsulfanyl)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-hydroxyethylsulfanyl)-5-methoxy-1H-pyrimidin-6-one (CID 114578905) is 4-(2-hydroxyethylsulfanyl)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-hydroxyethylsulfanyl)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-hydroxyethylsulfanyl)-5-methoxy-1H-pyrimidin-6-one is COc1c(SCCO)nc[nH]c1=O.
What is the InChIKey of 4-(2-hydroxyethylsulfanyl)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is GNFVVRVFFJRZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-12-5-6(11)8-4-9-7(5)13-3-2-10/h4,10H,2-3H2,1H3,(H,8,9,11).
What are the key properties of 4-(2-hydroxyethylsulfanyl)-5-methoxy-1H-pyrimidin-6-one?
4-(2-hydroxyethylsulfanyl)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 202.23 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylsulfanyl)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114578905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).