4-(dimethoxymethyl)-2-methylsulfanylpyrimidine

C8H12N2O2S — CID 15407007

IUPAC4-(dimethoxymethyl)-2-methylsulfanylpyrimidine
SMILESCOC(OC)c1ccnc(SC)n1
InChIInChI=1S/C8H12N2O2S/c1-11-7(12-2)6-4-5-9-8(10-6)13-3/h4-5,7H,1-3H3
InChIKeyPTYFBMBIEDVSIA-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.49
Rot. Bonds4

About 4-(dimethoxymethyl)-2-methylsulfanylpyrimidine

4-(dimethoxymethyl)-2-methylsulfanylpyrimidine (PubChem CID 15407007) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-methylsulfanylpyrimidine
PubChem CID15407007
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name4-(dimethoxymethyl)-2-methylsulfanylpyrimidine
SMILESCOC(OC)c1ccnc(SC)n1
InChIInChI=1S/C8H12N2O2S/c1-11-7(12-2)6-4-5-9-8(10-6)13-3/h4-5,7H,1-3H3
InChIKeyPTYFBMBIEDVSIA-UHFFFAOYSA-N
XLogP1.49
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.49
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-methylsulfanylpyrimidine?
The IUPAC name of 4-(dimethoxymethyl)-2-methylsulfanylpyrimidine (CID 15407007) is 4-(dimethoxymethyl)-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-(dimethoxymethyl)-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-(dimethoxymethyl)-2-methylsulfanylpyrimidine is COC(OC)c1ccnc(SC)n1.
What is the InChIKey of 4-(dimethoxymethyl)-2-methylsulfanylpyrimidine?
The InChIKey is PTYFBMBIEDVSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-11-7(12-2)6-4-5-9-8(10-6)13-3/h4-5,7H,1-3H3.
What are the key properties of 4-(dimethoxymethyl)-2-methylsulfanylpyrimidine?
4-(dimethoxymethyl)-2-methylsulfanylpyrimidine has a molecular weight of 200.26 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-methylsulfanylpyrimidine is sourced from PubChem (CID 15407007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).