2-(methoxymethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine

C9H11N5O2S — CID 113401730

IUPAC2-(methoxymethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine
SMILESCOCc1nc(N)cc(Sc2nnc(C)o2)n1
InChIInChI=1S/C9H11N5O2S/c1-5-13-14-9(16-5)17-8-3-6(10)11-7(12-8)4-15-2/h3H,4H2,1-2H3,(H2,10,11,12)
InChIKeyCTIXPLYZWIYIFT-UHFFFAOYSA-N
MW253.29 g/mol
LogP1.05
Rot. Bonds4

About 2-(methoxymethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine

2-(methoxymethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine (PubChem CID 113401730) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine
PubChem CID113401730
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC Name2-(methoxymethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine
SMILESCOCc1nc(N)cc(Sc2nnc(C)o2)n1
InChIInChI=1S/C9H11N5O2S/c1-5-13-14-9(16-5)17-8-3-6(10)11-7(12-8)4-15-2/h3H,4H2,1-2H3,(H2,10,11,12)
InChIKeyCTIXPLYZWIYIFT-UHFFFAOYSA-N
XLogP1.05
TPSA99.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(2-bromophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine
CID 113401699
6-(2-fluorophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine
CID 113401710
2-(methoxymethyl)-6-(2-methylbutylsulfanyl)pyrimidin-4-amine
CID 107765753
4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 80892353
3-methoxy-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline
CID 80737546
2-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80891676
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(methoxymethyl)pyrimidine-4,6-diamine
CID 106378823
4-ethoxy-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline
CID 63594501
2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid
CID 62253629
N-ethyl-4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 80892730
2-[(3-chloro-1,2,4-triazin-5-yl)sulfanyl]-5-methyl-1,3,4-oxadiazole
CID 115000855
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-propylpyridine-4-carboxylic acid
CID 113380394

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine (CID 113401730) is 2-(methoxymethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine is COCc1nc(N)cc(Sc2nnc(C)o2)n1.
What is the InChIKey of 2-(methoxymethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
The InChIKey is CTIXPLYZWIYIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-5-13-14-9(16-5)17-8-3-6(10)11-7(12-8)4-15-2/h3H,4H2,1-2H3,(H2,10,11,12).
What are the key properties of 2-(methoxymethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
2-(methoxymethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine has a molecular weight of 253.29 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 113401730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).