2-sulfanyl-1H-pyrimidin-2-ol

C4H6N2OS — CID 53420528

IUPAC2-sulfanyl-1H-pyrimidin-2-ol
SMILESOC1(S)N=CC=CN1
InChIInChI=1S/C4H6N2OS/c7-4(8)5-2-1-3-6-4/h1-3,5,7-8H
InChIKeyRUKXKEFCRZOJGA-UHFFFAOYSA-N
MW130.17 g/mol
LogP-0.29
Rot. Bonds

About 2-sulfanyl-1H-pyrimidin-2-ol

2-sulfanyl-1H-pyrimidin-2-ol (PubChem CID 53420528) has the molecular formula C4H6N2OS and a molecular weight of 130.17 g/mol. Its IUPAC name is 2-sulfanyl-1H-pyrimidin-2-ol.

Molecular Properties

Compound Name2-sulfanyl-1H-pyrimidin-2-ol
PubChem CID53420528
Molecular FormulaC4H6N2OS
Molecular Weight130.17 g/mol
Exact Mass130.02
IUPAC Name2-sulfanyl-1H-pyrimidin-2-ol
SMILESOC1(S)N=CC=CN1
InChIInChI=1S/C4H6N2OS/c7-4(8)5-2-1-3-6-4/h1-3,5,7-8H
InChIKeyRUKXKEFCRZOJGA-UHFFFAOYSA-N
XLogP-0.29
TPSA44.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-Dihydro-2-thiopyrimidine
CID 5242133
Dihydropyrimidin-2-ol
CID 18356393
2-amino-1H-pyrimidin-2-ol
CID 17821727
2-Chloropyrimidin-2-ol
CID 66742485
1H-pyrimidine-2,2-diol
CID 66765439
2-methyl-1H-pyrimidin-2-ol
CID 68996553
2-methylsulfanyl-1H-pyrimidin-2-ol
CID 70385143
1H-pyrimidine-2,2-dithiol
CID 140249088
2-amino-1H-pyrimidine-2-thiol
CID 141070490
1,2-Dihydropyrimidine;hydrate
CID 157750894
1H-pyrimidine-2-thione;hydrate
CID 172804565
2-(dimethylamino)-1H-pyrimidin-2-ol
CID 175927297

Frequently Asked Questions

What is the IUPAC name of 2-sulfanyl-1H-pyrimidin-2-ol?
The IUPAC name of 2-sulfanyl-1H-pyrimidin-2-ol (CID 53420528) is 2-sulfanyl-1H-pyrimidin-2-ol.
What is the SMILES notation for 2-sulfanyl-1H-pyrimidin-2-ol?
The canonical SMILES for 2-sulfanyl-1H-pyrimidin-2-ol is OC1(S)N=CC=CN1.
What is the InChIKey of 2-sulfanyl-1H-pyrimidin-2-ol?
The InChIKey is RUKXKEFCRZOJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2OS/c7-4(8)5-2-1-3-6-4/h1-3,5,7-8H.
What are the key properties of 2-sulfanyl-1H-pyrimidin-2-ol?
2-sulfanyl-1H-pyrimidin-2-ol has a molecular weight of 130.17 g/mol, XLogP of -0.29, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-1H-pyrimidin-2-ol is sourced from PubChem (CID 53420528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).