2-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole

C12H15N3O2S — CID 75375425

IUPAC2-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole
SMILESCOCc1nc(C)cc(Sc2nc(C)c(C)o2)n1
InChIInChI=1S/C12H15N3O2S/c1-7-5-11(15-10(13-7)6-16-4)18-12-14-8(2)9(3)17-12/h5H,6H2,1-4H3
InChIKeyDUECTGBFIFYISP-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.69
Rot. Bonds4

About 2-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole

2-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole (PubChem CID 75375425) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole
PubChem CID75375425
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name2-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole
SMILESCOCc1nc(C)cc(Sc2nc(C)c(C)o2)n1
InChIInChI=1S/C12H15N3O2S/c1-7-5-11(15-10(13-7)6-16-4)18-12-14-8(2)9(3)17-12/h5H,6H2,1-4H3
InChIKeyDUECTGBFIFYISP-UHFFFAOYSA-N
XLogP2.69
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole (CID 75375425) is 2-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole is COCc1nc(C)cc(Sc2nc(C)c(C)o2)n1.
What is the InChIKey of 2-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole?
The InChIKey is DUECTGBFIFYISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-7-5-11(15-10(13-7)6-16-4)18-12-14-8(2)9(3)17-12/h5H,6H2,1-4H3.
What are the key properties of 2-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole?
2-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole has a molecular weight of 265.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]sulfanyl-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 75375425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).