1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazolo[3,4-d]pyrimidin-4-amine

C10H6F3N7 — CID 134608188

IUPAC1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1cnn2-c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C10H6F3N7/c11-10(12,13)9-15-1-5(2-16-9)20-8-6(3-19-20)7(14)17-4-18-8/h1-4H,(H2,14,17,18)
InChIKeyONWGKKIGPFXBMR-UHFFFAOYSA-N
MW281.20 g/mol
LogP1.21
Rot. Bonds1

About 1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazolo[3,4-d]pyrimidin-4-amine

1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 134608188) has the molecular formula C10H6F3N7 and a molecular weight of 281.20 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID134608188
Molecular FormulaC10H6F3N7
Molecular Weight281.20 g/mol
Exact Mass281.06
IUPAC Name1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1cnn2-c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C10H6F3N7/c11-10(12,13)9-15-1-5(2-16-9)20-8-6(3-19-20)7(14)17-4-18-8/h1-4H,(H2,14,17,18)
InChIKeyONWGKKIGPFXBMR-UHFFFAOYSA-N
XLogP1.21
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N6-[(1S)-1-(5-Fluoropyrimidin-2-yl)ethyl]-1-methyl-N4-(1-methyl-1H-imidazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 45275363
6-Methylpyrazolo(1,5-a)pyrimidin-3-amine
CID 60136465
3-Methylpyrazolo[1,5-a]pyrimidin-6-amine
CID 84049931
3-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-amine
CID 86276682
6-N-[(1-aminocyclopropyl)methyl]-1-methyl-4-N-[5-(trifluoromethyl)pyrazin-2-yl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 155413686
6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-amine
CID 84721400
N'-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N-pyrazin-2-ylethane-1,2-diamine
CID 45834612
N-(1-tert-butylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 47464170
3-[3-[[6-[[1-(2,2-Difluoroethyl)pyrazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]piperidin-1-yl]propanenitrile
CID 54579114
2-[3-[[6-[[1-(2,2-Difluoroethyl)pyrazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]piperidin-1-yl]acetonitrile
CID 54579115
1-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 54579347
1-(2-Fluoroethyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 60093094

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 134608188) is 1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1cnn2-c1cnc(C(F)(F)F)nc1.
What is the InChIKey of 1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ONWGKKIGPFXBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N7/c11-10(12,13)9-15-1-5(2-16-9)20-8-6(3-19-20)7(14)17-4-18-8/h1-4H,(H2,14,17,18).
What are the key properties of 1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 281.20 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 134608188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).