6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

C6H3ClF3N5 — CID 115042324

IUPAC6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1nc(Cl)nc2n[nH]c(C(F)(F)F)c12
InChIInChI=1S/C6H3ClF3N5/c7-5-12-3(11)1-2(6(8,9)10)14-15-4(1)13-5/h(H3,11,12,13,14,15)
InChIKeyDKLDDSIKAUAJTQ-UHFFFAOYSA-N
MW237.57 g/mol
LogP1.61
Rot. Bonds

About 6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 115042324) has the molecular formula C6H3ClF3N5 and a molecular weight of 237.57 g/mol. Its IUPAC name is 6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID115042324
Molecular FormulaC6H3ClF3N5
Molecular Weight237.57 g/mol
Exact Mass237.00
IUPAC Name6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1nc(Cl)nc2n[nH]c(C(F)(F)F)c12
InChIInChI=1S/C6H3ClF3N5/c7-5-12-3(11)1-2(6(8,9)10)14-15-4(1)13-5/h(H3,11,12,13,14,15)
InChIKeyDKLDDSIKAUAJTQ-UHFFFAOYSA-N
XLogP1.61
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.57
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219854
3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine
CID 69245165
6-Chloro-3-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 70700884
1h-Pyrazolo[3,4-d]pyrimidine,4-chloro-3-(trifluoromethyl)-
CID 76847045
2-Methyl-4,6-bis(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 89691412
4,6-bis(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-3-amine
CID 89691537
3-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 115022764
N-methyl-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 124033177
6-chloro-4-(3,3-difluoroazetidin-1-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine
CID 137363500
3-(difluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 141364758
3-(fluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 141364794
3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 161719876

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 115042324) is 6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is Nc1nc(Cl)nc2n[nH]c(C(F)(F)F)c12.
What is the InChIKey of 6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is DKLDDSIKAUAJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3N5/c7-5-12-3(11)1-2(6(8,9)10)14-15-4(1)13-5/h(H3,11,12,13,14,15).
What are the key properties of 6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 237.57 g/mol, XLogP of 1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 115042324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).