3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-7-(1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine

C18H18N8O2S — CID 66718484

IUPAC3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-7-(1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine
SMILESNc1nc(-c2nccs2)c2nnn(Cc3cccc(CO[C@H]4CCOC4)n3)c2n1
InChIInChI=1S/C18H18N8O2S/c19-18-22-15(17-20-5-7-29-17)14-16(23-18)26(25-24-14)8-11-2-1-3-12(21-11)9-28-13-4-6-27-10-13/h1-3,5,7,13H,4,6,8-10H2,(H2,19,22,23)/t13-/m0/s1
InChIKeyZLOVLXUJROIHBS-ZDUSSCGKSA-N
MW410.46 g/mol
LogP1.68
Rot. Bonds6

About 3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-7-(1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine

3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-7-(1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 66718484) has the molecular formula C18H18N8O2S and a molecular weight of 410.46 g/mol. Its IUPAC name is 3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-7-(1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound Name3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-7-(1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine
PubChem CID66718484
Molecular FormulaC18H18N8O2S
Molecular Weight410.46 g/mol
Exact Mass410.13
IUPAC Name3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-7-(1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine
SMILESNc1nc(-c2nccs2)c2nnn(Cc3cccc(CO[C@H]4CCOC4)n3)c2n1
InChIInChI=1S/C18H18N8O2S/c19-18-22-15(17-20-5-7-29-17)14-16(23-18)26(25-24-14)8-11-2-1-3-12(21-11)9-28-13-4-6-27-10-13/h1-3,5,7,13H,4,6,8-10H2,(H2,19,22,23)/t13-/m0/s1
InChIKeyZLOVLXUJROIHBS-ZDUSSCGKSA-N
XLogP1.68
TPSA126.75 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.46
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-7-(1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine with MolForge

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Related Compounds

3-[[6-(Difluoromethoxymethyl)pyridin-2-yl]methyl]-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 137440611
7-[(2S,3S,5R)-5-ethyl-3-fluorooxolan-2-yl]-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 143921827
7-(5-Fluorothiophen-2-yl)-3-[[5-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine
CID 52919209
3-[[6-(Oxolan-3-yloxymethyl)-2-pyridinyl]methyl]-7-(1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 44552754
7-(4-methyl-1,3-thiazol-2-yl)-3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine
CID 44554999
7-(4-methylthiazol-2-yl)-3-(6-[4-hydroxytetrahydropyran-4-yl]pyrid-2-ylmethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
CID 44555149
3-(6-Methoxymethylpyridin-2-ylmethyl)-7-(4-methylthiazol-2-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-ylamine
CID 44555151
[(2S,5R)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methanol
CID 70142149
[5-[4-Amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methanol
CID 77783603
2-[4-Amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-5-methyl-5-propyloxolan-3-ol
CID 91171841
[5-[4-Amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-3-methoxy-4-methyloxolan-2-yl]methanol
CID 91505984
2-chloro-8-(pyridin-2-ylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine
CID 134481063

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-7-(1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of 3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-7-(1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine (CID 66718484) is 3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-7-(1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for 3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-7-(1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for 3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-7-(1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine is Nc1nc(-c2nccs2)c2nnn(Cc3cccc(CO[C@H]4CCOC4)n3)c2n1.
What is the InChIKey of 3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-7-(1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is ZLOVLXUJROIHBS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18N8O2S/c19-18-22-15(17-20-5-7-29-17)14-16(23-18)26(25-24-14)8-11-2-1-3-12(21-11)9-28-13-4-6-27-10-13/h1-3,5,7,13H,4,6,8-10H2,(H2,19,22,23)/t13-/m0/s1.
What are the key properties of 3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-7-(1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine?
3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-7-(1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 410.46 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]-7-(1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 66718484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).