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

C16H16N8OS — CID 44555151

IUPAC3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine
SMILESCOCc1cccc(Cn2nnc3c(-c4nc(C)cs4)nc(N)nc32)n1
InChIInChI=1S/C16H16N8OS/c1-9-8-26-15(18-9)13-12-14(21-16(17)20-13)24(23-22-12)6-10-4-3-5-11(19-10)7-25-2/h3-5,8H,6-7H2,1-2H3,(H2,17,20,21)
InChIKeyWRUJOLSNCOGBCD-UHFFFAOYSA-N
MW368.43 g/mol
LogP1.83
Rot. Bonds5

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

3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 44555151) has the molecular formula C16H16N8OS and a molecular weight of 368.43 g/mol. Its IUPAC name is 3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound Name3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine
PubChem CID44555151
Molecular FormulaC16H16N8OS
Molecular Weight368.43 g/mol
Exact Mass368.12
IUPAC Name3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine
SMILESCOCc1cccc(Cn2nnc3c(-c4nc(C)cs4)nc(N)nc32)n1
InChIInChI=1S/C16H16N8OS/c1-9-8-26-15(18-9)13-12-14(21-16(17)20-13)24(23-22-12)6-10-4-3-5-11(19-10)7-25-2/h3-5,8H,6-7H2,1-2H3,(H2,17,20,21)
InChIKeyWRUJOLSNCOGBCD-UHFFFAOYSA-N
XLogP1.83
TPSA117.52 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2-Methoxymethyl-4-methylbenzo[4,5]imidazo[1,2-c]pyrido[3',2':4,5]thieno[2,3-e][1,2,3]triazine
CID 11739164
3-[[6-(Difluoromethoxymethyl)pyridin-2-yl]methyl]-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 137440611
8-(4-Fluorophenyl)-7-(methoxymethyl)-3-(4-phenyl-1,3-thiazol-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 66502521
N-(1,3-benzothiazol-2-ylmethyl)-5-(methoxymethyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56915464
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-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-[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
N,12-dimethyl-4-(pyridin-2-ylmethoxy)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 58801398
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

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of 3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine (CID 44555151) is 3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for 3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for 3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine is COCc1cccc(Cn2nnc3c(-c4nc(C)cs4)nc(N)nc32)n1.
What is the InChIKey of 3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is WRUJOLSNCOGBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8OS/c1-9-8-26-15(18-9)13-12-14(21-16(17)20-13)24(23-22-12)6-10-4-3-5-11(19-10)7-25-2/h3-5,8H,6-7H2,1-2H3,(H2,17,20,21).
What are the key properties of 3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine?
3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 368.43 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(methoxymethyl)-2-pyridinyl]methyl]-7-(4-methyl-1,3-thiazol-2-yl)triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 44555151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).