5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-carbaldehyde

C10H8N2O2S — CID 7176223

IUPAC5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-carbaldehyde
SMILESCc1ccnc(Sc2ccc(C=O)o2)n1
InChIInChI=1S/C10H8N2O2S/c1-7-4-5-11-10(12-7)15-9-3-2-8(6-13)14-9/h2-6H,1H3
InChIKeyOOGYCWSHTHIGKG-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.34
Rot. Bonds3

About 5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-carbaldehyde

5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-carbaldehyde (PubChem CID 7176223) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-carbaldehyde
PubChem CID7176223
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-carbaldehyde
SMILESCc1ccnc(Sc2ccc(C=O)o2)n1
InChIInChI=1S/C10H8N2O2S/c1-7-4-5-11-10(12-7)15-9-3-2-8(6-13)14-9/h2-6H,1H3
InChIKeyOOGYCWSHTHIGKG-UHFFFAOYSA-N
XLogP2.34
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-carbaldehyde?
The IUPAC name of 5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-carbaldehyde (CID 7176223) is 5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-carbaldehyde.
What is the SMILES notation for 5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-carbaldehyde?
The canonical SMILES for 5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-carbaldehyde is Cc1ccnc(Sc2ccc(C=O)o2)n1.
What is the InChIKey of 5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-carbaldehyde?
The InChIKey is OOGYCWSHTHIGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c1-7-4-5-11-10(12-7)15-9-3-2-8(6-13)14-9/h2-6H,1H3.
What are the key properties of 5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-carbaldehyde?
5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-carbaldehyde has a molecular weight of 220.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-carbaldehyde is sourced from PubChem (CID 7176223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).