3-ethyl-6-hydroxy-1,5-bis(2-sulfanylethyl)pyrimidine-2,4-dione

C10H16N2O3S2 — CID 123916430

IUPAC3-ethyl-6-hydroxy-1,5-bis(2-sulfanylethyl)pyrimidine-2,4-dione
SMILESCCn1c(=O)c(CCS)c(O)n(CCS)c1=O
InChIInChI=1S/C10H16N2O3S2/c1-2-11-8(13)7(3-5-16)9(14)12(4-6-17)10(11)15/h14,16-17H,2-6H2,1H3
InChIKeyOECCSAXVMDVVPZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.14
Rot. Bonds5

About 3-ethyl-6-hydroxy-1,5-bis(2-sulfanylethyl)pyrimidine-2,4-dione

3-ethyl-6-hydroxy-1,5-bis(2-sulfanylethyl)pyrimidine-2,4-dione (PubChem CID 123916430) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-ethyl-6-hydroxy-1,5-bis(2-sulfanylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-6-hydroxy-1,5-bis(2-sulfanylethyl)pyrimidine-2,4-dione
PubChem CID123916430
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC Name3-ethyl-6-hydroxy-1,5-bis(2-sulfanylethyl)pyrimidine-2,4-dione
SMILESCCn1c(=O)c(CCS)c(O)n(CCS)c1=O
InChIInChI=1S/C10H16N2O3S2/c1-2-11-8(13)7(3-5-16)9(14)12(4-6-17)10(11)15/h14,16-17H,2-6H2,1H3
InChIKeyOECCSAXVMDVVPZ-UHFFFAOYSA-N
XLogP0.14
TPSA64.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-1-(2-sulfanylethyl)quinazoline-2,4-dione
CID 22507021
1-ethyl-4-hydroxy-3-methyl-5-sulfanylimidazol-2-one
CID 91000822
1-ethyl-3,4-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 167961025
3-ethyl-1-[3-(3-ethyl-2,4-dioxo-5-propylpyrimidin-1-yl)propyl]-5-propylpyrimidine-2,4-dione
CID 71396175
diethyl-[2-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethyl]azanium
CID 6936722
5,6-diamino-1,3-diethylpyrimidine-2,4-dione;methane
CID 155804930
1-ethyl-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 50888652
2-hydroxy-4,5-dimethylidene-6-oxo-1-propylpyridine-3-carbonitrile
CID 91209185
1-ethyl-6-hydroxy-4-methyl-2-oxo-5-prop-2-enylpyridine-3-carbonitrile
CID 50888715
1,3-diethyl-6-hydroxy-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione
CID 135672488
1-ethyl-3-(2-hydroxyethyl)-5-(3-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione
CID 143274636
3-ethyl-1-methyl-2,4-dioxopyrimidine-5-carboxylic acid
CID 21406695

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-hydroxy-1,5-bis(2-sulfanylethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-ethyl-6-hydroxy-1,5-bis(2-sulfanylethyl)pyrimidine-2,4-dione (CID 123916430) is 3-ethyl-6-hydroxy-1,5-bis(2-sulfanylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-ethyl-6-hydroxy-1,5-bis(2-sulfanylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-ethyl-6-hydroxy-1,5-bis(2-sulfanylethyl)pyrimidine-2,4-dione is CCn1c(=O)c(CCS)c(O)n(CCS)c1=O.
What is the InChIKey of 3-ethyl-6-hydroxy-1,5-bis(2-sulfanylethyl)pyrimidine-2,4-dione?
The InChIKey is OECCSAXVMDVVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c1-2-11-8(13)7(3-5-16)9(14)12(4-6-17)10(11)15/h14,16-17H,2-6H2,1H3.
What are the key properties of 3-ethyl-6-hydroxy-1,5-bis(2-sulfanylethyl)pyrimidine-2,4-dione?
3-ethyl-6-hydroxy-1,5-bis(2-sulfanylethyl)pyrimidine-2,4-dione has a molecular weight of 276.38 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-hydroxy-1,5-bis(2-sulfanylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 123916430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).