2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide

C19H23FN6O — CID 47091745

IUPAC2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide
SMILESCc1nc2nc(N)nn2c(C)c1CC(=O)NCC(C)(C)c1ccccc1F
InChIInChI=1S/C19H23FN6O/c1-11-13(12(2)26-18(23-11)24-17(21)25-26)9-16(27)22-10-19(3,4)14-7-5-6-8-15(14)20/h5-8H,9-10H2,1-4H3,(H2,21,25)(H,22,27)
InChIKeyZCEFCFMQCAFCPE-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.10
Rot. Bonds5

About 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide

2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide (PubChem CID 47091745) has the molecular formula C19H23FN6O and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide
PubChem CID47091745
Molecular FormulaC19H23FN6O
Molecular Weight370.43 g/mol
Exact Mass370.19
IUPAC Name2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide
SMILESCc1nc2nc(N)nn2c(C)c1CC(=O)NCC(C)(C)c1ccccc1F
InChIInChI=1S/C19H23FN6O/c1-11-13(12(2)26-18(23-11)24-17(21)25-26)9-16(27)22-10-19(3,4)14-7-5-6-8-15(14)20/h5-8H,9-10H2,1-4H3,(H2,21,25)(H,22,27)
InChIKeyZCEFCFMQCAFCPE-UHFFFAOYSA-N
XLogP2.10
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 55932497
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 17410046
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide
CID 24551090
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-benzylsulfanylethyl)acetamide
CID 17405103
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 17415546
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 27848690
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 30585777
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 24551138
3-[[[2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]methyl]-N-methylbenzamide
CID 55587612
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide
CID 55458064
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 17483850
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 55518875

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)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide?
The IUPAC name of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide (CID 47091745) is 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide is Cc1nc2nc(N)nn2c(C)c1CC(=O)NCC(C)(C)c1ccccc1F.
What is the InChIKey of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide?
The InChIKey is ZCEFCFMQCAFCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O/c1-11-13(12(2)26-18(23-11)24-17(21)25-26)9-16(27)22-10-19(3,4)14-7-5-6-8-15(14)20/h5-8H,9-10H2,1-4H3,(H2,21,25)(H,22,27).
What are the key properties of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide?
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide has a molecular weight of 370.43 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 47091745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).