N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C13H10F3N5 — CID 16627006

IUPACN-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(CNc2ncnc3[nH]ncc23)cc1
InChIInChI=1S/C13H10F3N5/c14-13(15,16)9-3-1-8(2-4-9)5-17-11-10-6-20-21-12(10)19-7-18-11/h1-4,6-7H,5H2,(H2,17,18,19,20,21)
InChIKeyNSVQTBLWXWBKHM-UHFFFAOYSA-N
MW293.25 g/mol
LogP2.98
Rot. Bonds3

About N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 16627006) has the molecular formula C13H10F3N5 and a molecular weight of 293.25 g/mol. Its IUPAC name is N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID16627006
Molecular FormulaC13H10F3N5
Molecular Weight293.25 g/mol
Exact Mass293.09
IUPAC NameN-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(CNc2ncnc3[nH]ncc23)cc1
InChIInChI=1S/C13H10F3N5/c14-13(15,16)9-3-1-8(2-4-9)5-17-11-10-6-20-21-12(10)19-7-18-11/h1-4,6-7H,5H2,(H2,17,18,19,20,21)
InChIKeyNSVQTBLWXWBKHM-UHFFFAOYSA-N
XLogP2.98
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133408154
1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 133273633
N-(2-fluoroethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 131102033
6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 70854816
N-[(3S,4S)-3-fluoro-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 11959650
N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine
CID 171594927
N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 154741235
4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-6-carbonitrile
CID 71538885
4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxylic acid
CID 123614057
N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-6-amine
CID 5333527
2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2,5-diamine
CID 80652487
N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 118317173

Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 16627006) is N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is FC(F)(F)c1ccc(CNc2ncnc3[nH]ncc23)cc1.
What is the InChIKey of N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is NSVQTBLWXWBKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5/c14-13(15,16)9-3-1-8(2-4-9)5-17-11-10-6-20-21-12(10)19-7-18-11/h1-4,6-7H,5H2,(H2,17,18,19,20,21).
What are the key properties of N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 293.25 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 16627006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).