4-(dimethoxymethyl)-2-thiophen-3-ylpyrimidine

C11H12N2O2S — CID 115531613

IUPAC4-(dimethoxymethyl)-2-thiophen-3-ylpyrimidine
SMILESCOC(OC)c1ccnc(-c2ccsc2)n1
InChIInChI=1S/C11H12N2O2S/c1-14-11(15-2)9-3-5-12-10(13-9)8-4-6-16-7-8/h3-7,11H,1-2H3
InChIKeyHBURAGBTPISOQO-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.50
Rot. Bonds4

About 4-(dimethoxymethyl)-2-thiophen-3-ylpyrimidine

4-(dimethoxymethyl)-2-thiophen-3-ylpyrimidine (PubChem CID 115531613) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-thiophen-3-ylpyrimidine.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-thiophen-3-ylpyrimidine
PubChem CID115531613
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name4-(dimethoxymethyl)-2-thiophen-3-ylpyrimidine
SMILESCOC(OC)c1ccnc(-c2ccsc2)n1
InChIInChI=1S/C11H12N2O2S/c1-14-11(15-2)9-3-5-12-10(13-9)8-4-6-16-7-8/h3-7,11H,1-2H3
InChIKeyHBURAGBTPISOQO-UHFFFAOYSA-N
XLogP2.50
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-2-thiophen-3-ylpyrimidine?
The IUPAC name of 4-(dimethoxymethyl)-2-thiophen-3-ylpyrimidine (CID 115531613) is 4-(dimethoxymethyl)-2-thiophen-3-ylpyrimidine.
What is the SMILES notation for 4-(dimethoxymethyl)-2-thiophen-3-ylpyrimidine?
The canonical SMILES for 4-(dimethoxymethyl)-2-thiophen-3-ylpyrimidine is COC(OC)c1ccnc(-c2ccsc2)n1.
What is the InChIKey of 4-(dimethoxymethyl)-2-thiophen-3-ylpyrimidine?
The InChIKey is HBURAGBTPISOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-14-11(15-2)9-3-5-12-10(13-9)8-4-6-16-7-8/h3-7,11H,1-2H3.
What are the key properties of 4-(dimethoxymethyl)-2-thiophen-3-ylpyrimidine?
4-(dimethoxymethyl)-2-thiophen-3-ylpyrimidine has a molecular weight of 236.30 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-thiophen-3-ylpyrimidine is sourced from PubChem (CID 115531613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).