N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C16H21N5S — CID 133349942

IUPACN-(2,2-dimethyl-1-thiophen-2-ylpropyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NC(c2cccs2)C(C)(C)C)n2ncnc2n1
InChIInChI=1S/C16H21N5S/c1-5-11-9-13(21-15(19-11)17-10-18-21)20-14(16(2,3)4)12-7-6-8-22-12/h6-10,14,20H,5H2,1-4H3
InChIKeyWEGMDYXLYDDPOP-UHFFFAOYSA-N
MW315.45 g/mol
LogP3.95
Rot. Bonds4

About N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133349942) has the molecular formula C16H21N5S and a molecular weight of 315.45 g/mol. Its IUPAC name is N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2,2-dimethyl-1-thiophen-2-ylpropyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133349942
Molecular FormulaC16H21N5S
Molecular Weight315.45 g/mol
Exact Mass315.15
IUPAC NameN-(2,2-dimethyl-1-thiophen-2-ylpropyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NC(c2cccs2)C(C)(C)C)n2ncnc2n1
InChIInChI=1S/C16H21N5S/c1-5-11-9-13(21-15(19-11)17-10-18-21)20-14(16(2,3)4)12-7-6-8-22-12/h6-10,14,20H,5H2,1-4H3
InChIKeyWEGMDYXLYDDPOP-UHFFFAOYSA-N
XLogP3.95
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

5-ethyl-N-[1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133350008
5-ethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133299717
5-methyl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 45354992
3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-phenylbutan-2-ol
CID 133400016
5-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919020
5-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133289522
5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 45353356
N-(3-chlorophenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22433997
N-[4-[2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenyl]acetamide
CID 133287938
1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 133353221
1-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclopentan-1-ol
CID 133271933
ethyl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate
CID 133363441

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133349942) is N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1cc(NC(c2cccs2)C(C)(C)C)n2ncnc2n1.
What is the InChIKey of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WEGMDYXLYDDPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5S/c1-5-11-9-13(21-15(19-11)17-10-18-21)20-14(16(2,3)4)12-7-6-8-22-12/h6-10,14,20H,5H2,1-4H3.
What are the key properties of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 315.45 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133349942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).