N-(2-methyl-2-methylsulfanylpropyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C16H19N5S — CID 133327350

IUPACN-(2-methyl-2-methylsulfanylpropyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCSC(C)(C)CNc1cc(-c2ccccc2)nc2ncnn12
InChIInChI=1S/C16H19N5S/c1-16(2,22-3)10-17-14-9-13(12-7-5-4-6-8-12)20-15-18-11-19-21(14)15/h4-9,11,17H,10H2,1-3H3
InChIKeyLXPQHRRVZDBCBR-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.34
Rot. Bonds5

About N-(2-methyl-2-methylsulfanylpropyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(2-methyl-2-methylsulfanylpropyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133327350) has the molecular formula C16H19N5S and a molecular weight of 313.43 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfanylpropyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfanylpropyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133327350
Molecular FormulaC16H19N5S
Molecular Weight313.43 g/mol
Exact Mass313.14
IUPAC NameN-(2-methyl-2-methylsulfanylpropyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCSC(C)(C)CNc1cc(-c2ccccc2)nc2ncnn12
InChIInChI=1S/C16H19N5S/c1-16(2,22-3)10-17-14-9-13(12-7-5-4-6-8-12)20-15-18-11-19-21(14)15/h4-9,11,17H,10H2,1-3H3
InChIKeyLXPQHRRVZDBCBR-UHFFFAOYSA-N
XLogP3.34
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-dimethyl-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
CID 60507623
N-[(4-methylsulfanylphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133272102
3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanenitrile
CID 167860301
N-[(3,5-dimethoxyphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 46096732
N-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133481260
N-(1,2-oxazol-5-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 154752142
N-(1-benzofuran-2-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 78899177
N-[2-(5-fluoro-2-methylphenyl)ethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 178201764
(2S)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol
CID 95900420
N-[[4-(difluoromethoxy)phenyl]methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 46097425
1-(4-fluorophenoxy)-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol
CID 133272686
N-[[3-(difluoromethoxy)phenyl]methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133278063

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfanylpropyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2-methyl-2-methylsulfanylpropyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133327350) is N-(2-methyl-2-methylsulfanylpropyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2-methyl-2-methylsulfanylpropyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2-methyl-2-methylsulfanylpropyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CSC(C)(C)CNc1cc(-c2ccccc2)nc2ncnn12.
What is the InChIKey of N-(2-methyl-2-methylsulfanylpropyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LXPQHRRVZDBCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5S/c1-16(2,22-3)10-17-14-9-13(12-7-5-4-6-8-12)20-15-18-11-19-21(14)15/h4-9,11,17H,10H2,1-3H3.
What are the key properties of N-(2-methyl-2-methylsulfanylpropyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(2-methyl-2-methylsulfanylpropyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 313.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfanylpropyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133327350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).