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

C19H20N8O2S — CID 44554999

IUPAC7-(4-methyl-1,3-thiazol-2-yl)-3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine
SMILESCc1csc(-c2nc(N)nc3c2nnn3Cc2cccc(CO[C@H]3CCOC3)n2)n1
InChIInChI=1S/C19H20N8O2S/c1-11-10-30-18(21-11)16-15-17(24-19(20)23-16)27(26-25-15)7-12-3-2-4-13(22-12)8-29-14-5-6-28-9-14/h2-4,10,14H,5-9H2,1H3,(H2,20,23,24)/t14-/m0/s1
InChIKeyXUWQASZFZJSBIO-AWEZNQCLSA-N
MW424.49 g/mol
LogP1.98
Rot. Bonds6

About 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

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 (PubChem CID 44554999) has the molecular formula C19H20N8O2S and a molecular weight of 424.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-(4-methyl-1,3-thiazol-2-yl)-3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine
PubChem CID44554999
Molecular FormulaC19H20N8O2S
Molecular Weight424.49 g/mol
Exact Mass424.14
IUPAC Name7-(4-methyl-1,3-thiazol-2-yl)-3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine
SMILESCc1csc(-c2nc(N)nc3c2nnn3Cc2cccc(CO[C@H]3CCOC3)n2)n1
InChIInChI=1S/C19H20N8O2S/c1-11-10-30-18(21-11)16-15-17(24-19(20)23-16)27(26-25-15)7-12-3-2-4-13(22-12)8-29-14-5-6-28-9-14/h2-4,10,14H,5-9H2,1H3,(H2,20,23,24)/t14-/m0/s1
InChIKeyXUWQASZFZJSBIO-AWEZNQCLSA-N
XLogP1.98
TPSA126.75 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.49
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 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 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
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-methylthiazol-2-yl)-3-(6-[1-hydroxy-1-methylethyl]pyrid-2-ylmethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
CID 44552755
7-(4-Methylthiazol-2-yl)-3-{6-[1-hydroxy-1-cyclopentyl]pyridin-2-ylmethyl}-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-ylamine
CID 44555148
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
7-(4-methylthiazol-2-yl)-3-(6-[1-hydroxycyclobutyl]pyrid-2-ylmethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
CID 44555150
3-(6-Methoxymethylpyridin-2-ylmethyl)-7-(4-methylthiazol-2-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-ylamine
CID 44555151
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
7-(4-Methylthiazol-2-yl)-3-{6-[1-trimethylsilyloxy-1-cyclopentyl]pyridin-2-ylmethyl}-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-ylamine
CID 66718587
7-Chloro-3-{6-[(S)-(tetrahydrofuran-3-yl)oxymethyl]pyridin-2-ylmethyl}-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-ylamine
CID 86655317
7-Chloro-3-[[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine
CID 87122400
7-(3,5-dimethyl-2,3-dihydrofuran-2-yl)-3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine
CID 129316094

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1csc(-c2nc(N)nc3c2nnn3Cc2cccc(CO[C@H]3CCOC3)n2)n1.
What is the InChIKey of 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?
The InChIKey is XUWQASZFZJSBIO-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N8O2S/c1-11-10-30-18(21-11)16-15-17(24-19(20)23-16)27(26-25-15)7-12-3-2-4-13(22-12)8-29-14-5-6-28-9-14/h2-4,10,14H,5-9H2,1H3,(H2,20,23,24)/t14-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 424.49 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 44554999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).