6-methyl-2-(1,3-oxazol-2-ylsulfanylmethyl)pyrimidin-4-amine

C9H10N4OS — CID 106925561

IUPAC6-methyl-2-(1,3-oxazol-2-ylsulfanylmethyl)pyrimidin-4-amine
SMILESCc1cc(N)nc(CSc2ncco2)n1
InChIInChI=1S/C9H10N4OS/c1-6-4-7(10)13-8(12-6)5-15-9-11-2-3-14-9/h2-4H,5H2,1H3,(H2,10,12,13)
InChIKeyZEODNRIBQOKFJO-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.65
Rot. Bonds3

About 6-methyl-2-(1,3-oxazol-2-ylsulfanylmethyl)pyrimidin-4-amine

6-methyl-2-(1,3-oxazol-2-ylsulfanylmethyl)pyrimidin-4-amine (PubChem CID 106925561) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 6-methyl-2-(1,3-oxazol-2-ylsulfanylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-(1,3-oxazol-2-ylsulfanylmethyl)pyrimidin-4-amine
PubChem CID106925561
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name6-methyl-2-(1,3-oxazol-2-ylsulfanylmethyl)pyrimidin-4-amine
SMILESCc1cc(N)nc(CSc2ncco2)n1
InChIInChI=1S/C9H10N4OS/c1-6-4-7(10)13-8(12-6)5-15-9-11-2-3-14-9/h2-4H,5H2,1H3,(H2,10,12,13)
InChIKeyZEODNRIBQOKFJO-UHFFFAOYSA-N
XLogP1.65
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1,3-oxazol-2-ylsulfanylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-(1,3-oxazol-2-ylsulfanylmethyl)pyrimidin-4-amine (CID 106925561) is 6-methyl-2-(1,3-oxazol-2-ylsulfanylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-(1,3-oxazol-2-ylsulfanylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-(1,3-oxazol-2-ylsulfanylmethyl)pyrimidin-4-amine is Cc1cc(N)nc(CSc2ncco2)n1.
What is the InChIKey of 6-methyl-2-(1,3-oxazol-2-ylsulfanylmethyl)pyrimidin-4-amine?
The InChIKey is ZEODNRIBQOKFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-6-4-7(10)13-8(12-6)5-15-9-11-2-3-14-9/h2-4H,5H2,1H3,(H2,10,12,13).
What are the key properties of 6-methyl-2-(1,3-oxazol-2-ylsulfanylmethyl)pyrimidin-4-amine?
6-methyl-2-(1,3-oxazol-2-ylsulfanylmethyl)pyrimidin-4-amine has a molecular weight of 222.27 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1,3-oxazol-2-ylsulfanylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 106925561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).