N-(2-adamantyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methylacetamide

C20H27N5O — CID 86998284

IUPACN-(2-adamantyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methylacetamide
SMILESCc1cc(C)n2nc(CC(=O)N(C)C3C4CC5CC(C4)CC3C5)nc2n1
InChIInChI=1S/C20H27N5O/c1-11-4-12(2)25-20(21-11)22-17(23-25)10-18(26)24(3)19-15-6-13-5-14(8-15)9-16(19)7-13/h4,13-16,19H,5-10H2,1-3H3
InChIKeyRRDTYQLZIMHXKF-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.57
Rot. Bonds3

About N-(2-adamantyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methylacetamide

N-(2-adamantyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methylacetamide (PubChem CID 86998284) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(2-adamantyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methylacetamide
PubChem CID86998284
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-(2-adamantyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methylacetamide
SMILESCc1cc(C)n2nc(CC(=O)N(C)C3C4CC5CC(C4)CC3C5)nc2n1
InChIInChI=1S/C20H27N5O/c1-11-4-12(2)25-20(21-11)22-17(23-25)10-18(26)24(3)19-15-6-13-5-14(8-15)9-16(19)7-13/h4,13-16,19H,5-10H2,1-3H3
InChIKeyRRDTYQLZIMHXKF-UHFFFAOYSA-N
XLogP2.57
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-butan-2-yl]-N-butyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 95322433
N-cyclopropyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-methylacetamide
CID 47393944
N-cycloheptyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 3242709
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]acetamide
CID 119070698
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78887770
1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
CID 94030160
1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
CID 94030161
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 110893825
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid
CID 20855075
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[(3R,4R)-3-[[2-hydroxyethyl(methyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 70781219
N-(1,3-benzodioxol-5-yl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 38766637
1-[4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55759680

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methylacetamide?
The IUPAC name of N-(2-adamantyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methylacetamide (CID 86998284) is N-(2-adamantyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methylacetamide.
What is the SMILES notation for N-(2-adamantyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methylacetamide?
The canonical SMILES for N-(2-adamantyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methylacetamide is Cc1cc(C)n2nc(CC(=O)N(C)C3C4CC5CC(C4)CC3C5)nc2n1.
What is the InChIKey of N-(2-adamantyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methylacetamide?
The InChIKey is RRDTYQLZIMHXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-11-4-12(2)25-20(21-11)22-17(23-25)10-18(26)24(3)19-15-6-13-5-14(8-15)9-16(19)7-13/h4,13-16,19H,5-10H2,1-3H3.
What are the key properties of N-(2-adamantyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methylacetamide?
N-(2-adamantyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methylacetamide has a molecular weight of 353.47 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methylacetamide is sourced from PubChem (CID 86998284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).