5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one

C6H8N2O2S — CID 3614677

IUPAC5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one
SMILESO=c1[nH]c(=S)[nH]cc1CCO
InChIInChI=1S/C6H8N2O2S/c9-2-1-4-3-7-6(11)8-5(4)10/h3,9H,1-2H2,(H2,7,8,10,11)
InChIKeyBHOFBQMOMPQKCN-UHFFFAOYSA-N
MW172.21 g/mol
LogP-0.03
Rot. Bonds2

About 5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one

5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one (PubChem CID 3614677) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one
PubChem CID3614677
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one
SMILESO=c1[nH]c(=S)[nH]cc1CCO
InChIInChI=1S/C6H8N2O2S/c9-2-1-4-3-7-6(11)8-5(4)10/h3,9H,1-2H2,(H2,7,8,10,11)
InChIKeyBHOFBQMOMPQKCN-UHFFFAOYSA-N
XLogP-0.03
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-Hydroxyethyl)pyrimidine-2,4(1H,3H)-dione
CID 352846
(4-Oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid
CID 5324559
5-(2-hydroxypropyl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 44385254
6-amino-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 4551610
6-hydroxy-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 69872150
2-[1-(Aminomethyl)-4-oxo-2-sulfanylidenepyrimidin-5-yl]acetic acid
CID 87642781
2-[3-(aminomethyl)-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid
CID 87642782
ethane;5-(2-hydroxyethyl)-1H-pyrimidine-2,4-dione
CID 141946415
2-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)ethyl formate
CID 174831983
6-hydroxy-5-(2-hydroxyethyl)-1-methylpyrimidin-2(1H)-one
CID 25220473
(3-Methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid
CID 28690738
5-(3-hydroxypropyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
CID 91827911

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The IUPAC name of 5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one (CID 3614677) is 5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The canonical SMILES for 5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one is O=c1[nH]c(=S)[nH]cc1CCO.
What is the InChIKey of 5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The InChIKey is BHOFBQMOMPQKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c9-2-1-4-3-7-6(11)8-5(4)10/h3,9H,1-2H2,(H2,7,8,10,11).
What are the key properties of 5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one?
5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one has a molecular weight of 172.21 g/mol, XLogP of -0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 3614677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).