N-methyl-1-[2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine

C9H10N4OS — CID 106926441

IUPACN-methyl-1-[2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(Sc2ncco2)nc1
InChIInChI=1S/C9H10N4OS/c1-10-4-7-5-12-8(13-6-7)15-9-11-2-3-14-9/h2-3,5-6,10H,4H2,1H3
InChIKeyGVJXPMNSFIHMIY-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.34
Rot. Bonds4

About N-methyl-1-[2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine

N-methyl-1-[2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine (PubChem CID 106926441) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is N-methyl-1-[2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine
PubChem CID106926441
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC NameN-methyl-1-[2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(Sc2ncco2)nc1
InChIInChI=1S/C9H10N4OS/c1-10-4-7-5-12-8(13-6-7)15-9-11-2-3-14-9/h2-3,5-6,10H,4H2,1H3
InChIKeyGVJXPMNSFIHMIY-UHFFFAOYSA-N
XLogP1.34
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine
CID 106926421
2-(5-bromopyrimidin-2-yl)sulfanyl-1,3-oxazole
CID 106898503
2-methyl-N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]propan-2-amine
CID 106926551
1-[1,3-dimethyl-5-(1,3-oxazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine
CID 106926425
1-[5-chloro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]-N-methylmethanamine
CID 106926417
N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine
CID 106926520
1-[2-(2-chlorophenyl)sulfanylpyrimidin-5-yl]-N-methylmethanamine
CID 113388646
N-methyl-1-[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine
CID 106927384
2-methyl-N-[[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-5-yl]methyl]propan-2-amine
CID 106926581
N-methyl-1-[2-(trichloromethyl)pyrimidin-5-yl]methanamine
CID 165466670
N-methyl-1-[2-(3-methylbutylsulfanyl)pyrimidin-5-yl]methanamine
CID 107761886
2-(4,6-dichloropyrimidin-2-yl)sulfanyl-1,3-oxazole
CID 172684469

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine (CID 106926441) is N-methyl-1-[2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine is CNCc1cnc(Sc2ncco2)nc1.
What is the InChIKey of N-methyl-1-[2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine?
The InChIKey is GVJXPMNSFIHMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-10-4-7-5-12-8(13-6-7)15-9-11-2-3-14-9/h2-3,5-6,10H,4H2,1H3.
What are the key properties of N-methyl-1-[2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine?
N-methyl-1-[2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine has a molecular weight of 222.27 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 106926441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).