[5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine

C10H10N6OS — CID 102630146

IUPAC[5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(SCc2cn3cccnc3n2)o1
InChIInChI=1S/C10H10N6OS/c11-4-8-14-15-10(17-8)18-6-7-5-16-3-1-2-12-9(16)13-7/h1-3,5H,4,6,11H2
InChIKeyAZIDAKDKGLUCPU-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.86
Rot. Bonds4

About [5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine

[5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 102630146) has the molecular formula C10H10N6OS and a molecular weight of 262.30 g/mol. Its IUPAC name is [5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID102630146
Molecular FormulaC10H10N6OS
Molecular Weight262.30 g/mol
Exact Mass262.06
IUPAC Name[5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(SCc2cn3cccnc3n2)o1
InChIInChI=1S/C10H10N6OS/c11-4-8-14-15-10(17-8)18-6-7-5-16-3-1-2-12-9(16)13-7/h1-3,5H,4,6,11H2
InChIKeyAZIDAKDKGLUCPU-UHFFFAOYSA-N
XLogP0.86
TPSA95.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)butan-1-amine
CID 66228154
2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline
CID 693030
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 20787304
3-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 43213368
[4-cyclopropyl-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 63314468
2-imidazo[1,2-a]pyrimidin-2-ylethanamine;hydrobromide
CID 71756465
2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 700171
2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 99824952
3-fluoro-4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline
CID 43303479
2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-methylaniline
CID 43302389
4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)quinazoline
CID 2997679
2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenyl]acetic acid
CID 64929348

Frequently Asked Questions

What is the IUPAC name of [5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 102630146) is [5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine is NCc1nnc(SCc2cn3cccnc3n2)o1.
What is the InChIKey of [5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is AZIDAKDKGLUCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6OS/c11-4-8-14-15-10(17-8)18-6-7-5-16-3-1-2-12-9(16)13-7/h1-3,5H,4,6,11H2.
What are the key properties of [5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 262.30 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 102630146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).