N-[(2R)-3,3-dimethylbutan-2-yl]-2-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C17H18F3N5 — CID 69129574

IUPACN-[(2R)-3,3-dimethylbutan-2-yl]-2-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESC[C@@H](Nc1ccnc2nc(-c3c(F)cc(F)cc3F)nn12)C(C)(C)C
InChIInChI=1S/C17H18F3N5/c1-9(17(2,3)4)22-13-5-6-21-16-23-15(24-25(13)16)14-11(19)7-10(18)8-12(14)20/h5-9,22H,1-4H3/t9-/m1/s1
InChIKeyYVFUHHSQUJWGPW-SECBINFHSA-N
MW349.36 g/mol
LogP4.06
Rot. Bonds3

About N-[(2R)-3,3-dimethylbutan-2-yl]-2-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[(2R)-3,3-dimethylbutan-2-yl]-2-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 69129574) has the molecular formula C17H18F3N5 and a molecular weight of 349.36 g/mol. Its IUPAC name is N-[(2R)-3,3-dimethylbutan-2-yl]-2-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(2R)-3,3-dimethylbutan-2-yl]-2-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID69129574
Molecular FormulaC17H18F3N5
Molecular Weight349.36 g/mol
Exact Mass349.15
IUPAC NameN-[(2R)-3,3-dimethylbutan-2-yl]-2-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESC[C@@H](Nc1ccnc2nc(-c3c(F)cc(F)cc3F)nn12)C(C)(C)C
InChIInChI=1S/C17H18F3N5/c1-9(17(2,3)4)22-13-5-6-21-16-23-15(24-25(13)16)14-11(19)7-10(18)8-12(14)20/h5-9,22H,1-4H3/t9-/m1/s1
InChIKeyYVFUHHSQUJWGPW-SECBINFHSA-N
XLogP4.06
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 68722417
N-(3,3-dimethylbutan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 115685845
2-chloro-N-propan-2-yl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 141176842
5-chloro-6-(2,6-difluoro-4-methoxyphenyl)-N-(3,3-dimethylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 15544759
5-chloro-6-(2,6-difluoro-4-iodophenyl)-N-(3,3-dimethylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;3,3-dimethylbutan-2-amine
CID 175387420
N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidin-2-amine
CID 115750251
4-N-(3,3-dimethylbutan-2-yl)pyrimidine-2,4-diamine
CID 104830588
5-chloro-6-[2,6-difluoro-4-[3-(methylamino)prop-1-ynyl]phenyl]-N-[(2R)-3,3-dimethylbutan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 166514862
N-(3,3-dimethylbutan-2-yl)-4-methoxypyridin-2-amine
CID 115922894
4-N-(3,3-dimethylbutan-2-yl)-2-N-methylpyridine-2,4-diamine
CID 104830614
7-chloro-6-(2,4,6-trifluorophenyl)-N-(1-trimethylsilylethyl)imidazo[1,2-a]pyrimidin-5-amine
CID 11350065
6-chloro-2-pyridin-2-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine
CID 11293409

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3,3-dimethylbutan-2-yl]-2-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(2R)-3,3-dimethylbutan-2-yl]-2-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 69129574) is N-[(2R)-3,3-dimethylbutan-2-yl]-2-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(2R)-3,3-dimethylbutan-2-yl]-2-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(2R)-3,3-dimethylbutan-2-yl]-2-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is C[C@@H](Nc1ccnc2nc(-c3c(F)cc(F)cc3F)nn12)C(C)(C)C.
What is the InChIKey of N-[(2R)-3,3-dimethylbutan-2-yl]-2-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YVFUHHSQUJWGPW-SECBINFHSA-N. The full InChI is InChI=1S/C17H18F3N5/c1-9(17(2,3)4)22-13-5-6-21-16-23-15(24-25(13)16)14-11(19)7-10(18)8-12(14)20/h5-9,22H,1-4H3/t9-/m1/s1.
What are the key properties of N-[(2R)-3,3-dimethylbutan-2-yl]-2-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(2R)-3,3-dimethylbutan-2-yl]-2-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 349.36 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3,3-dimethylbutan-2-yl]-2-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 69129574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).