2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone

C14H20N6O2 — CID 94145768

IUPAC2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone
SMILESCc1nc2nc(N)nn2c(C)c1CC(=O)N1CCOC[C@H]1C
InChIInChI=1S/C14H20N6O2/c1-8-7-22-5-4-19(8)12(21)6-11-9(2)16-14-17-13(15)18-20(14)10(11)3/h8H,4-7H2,1-3H3,(H2,15,18)/t8-/m1/s1
InChIKeyJDJHMGKWOQWUKA-MRVPVSSYSA-N
MW304.35 g/mol
LogP0.11
Rot. Bonds2

About 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone

2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone (PubChem CID 94145768) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone
PubChem CID94145768
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone
SMILESCc1nc2nc(N)nn2c(C)c1CC(=O)N1CCOC[C@H]1C
InChIInChI=1S/C14H20N6O2/c1-8-7-22-5-4-19(8)12(21)6-11-9(2)16-14-17-13(15)18-20(14)10(11)3/h8H,4-7H2,1-3H3,(H2,15,18)/t8-/m1/s1
InChIKeyJDJHMGKWOQWUKA-MRVPVSSYSA-N
XLogP0.11
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(azepan-1-yl)ethanone
CID 18108146
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[(4R)-4-propylazepan-1-yl]ethanone
CID 94823059
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 55518617
2-[2-(4-chlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 97047576
(2-amino-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94600145
(4-amino-1,3-dimethylpyrazol-5-yl)-(3-methylmorpholin-4-yl)methanone
CID 66122598
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 38078973
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-(6-hydroxy-1,4-oxazepan-4-yl)ethanone
CID 70788494
2-(3-aminopyrazol-1-yl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone
CID 94355301
2-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone
CID 106773667
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanone
CID 24544566
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 51982400

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone (CID 94145768) is 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone is Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCOC[C@H]1C.
What is the InChIKey of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone?
The InChIKey is JDJHMGKWOQWUKA-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-8-7-22-5-4-19(8)12(21)6-11-9(2)16-14-17-13(15)18-20(14)10(11)3/h8H,4-7H2,1-3H3,(H2,15,18)/t8-/m1/s1.
What are the key properties of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone?
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone has a molecular weight of 304.35 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone is sourced from PubChem (CID 94145768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).