4-(methoxymethyl)-2-methylsulfanylpyrimidine

C7H10N2OS — CID 10241230

IUPAC4-(methoxymethyl)-2-methylsulfanylpyrimidine
SMILESCOCc1ccnc(SC)n1
InChIInChI=1S/C7H10N2OS/c1-10-5-6-3-4-8-7(9-6)11-2/h3-4H,5H2,1-2H3
InChIKeyQHEAYFATNDQOKX-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.34
Rot. Bonds3

About 4-(methoxymethyl)-2-methylsulfanylpyrimidine

4-(methoxymethyl)-2-methylsulfanylpyrimidine (PubChem CID 10241230) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-(methoxymethyl)-2-methylsulfanylpyrimidine
PubChem CID10241230
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name4-(methoxymethyl)-2-methylsulfanylpyrimidine
SMILESCOCc1ccnc(SC)n1
InChIInChI=1S/C7H10N2OS/c1-10-5-6-3-4-8-7(9-6)11-2/h3-4H,5H2,1-2H3
InChIKeyQHEAYFATNDQOKX-UHFFFAOYSA-N
XLogP1.34
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-methylsulfanylpyrimidine?
The IUPAC name of 4-(methoxymethyl)-2-methylsulfanylpyrimidine (CID 10241230) is 4-(methoxymethyl)-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-(methoxymethyl)-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-(methoxymethyl)-2-methylsulfanylpyrimidine is COCc1ccnc(SC)n1.
What is the InChIKey of 4-(methoxymethyl)-2-methylsulfanylpyrimidine?
The InChIKey is QHEAYFATNDQOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-10-5-6-3-4-8-7(9-6)11-2/h3-4H,5H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-2-methylsulfanylpyrimidine?
4-(methoxymethyl)-2-methylsulfanylpyrimidine has a molecular weight of 170.24 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-methylsulfanylpyrimidine is sourced from PubChem (CID 10241230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).