N-butyl-6-(trifluoromethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C10H12F3N5 — CID 76847016

IUPACN-butyl-6-(trifluoromethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCCCNc1nc(C(F)(F)F)nc2[nH]ncc12
InChIInChI=1S/C10H12F3N5/c1-2-3-4-14-7-6-5-15-18-8(6)17-9(16-7)10(11,12)13/h5H,2-4H2,1H3,(H2,14,15,16,17,18)
InChIKeyGKVAGGCXGMKXIE-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.58
Rot. Bonds4

About N-butyl-6-(trifluoromethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-butyl-6-(trifluoromethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 76847016) has the molecular formula C10H12F3N5 and a molecular weight of 259.23 g/mol. Its IUPAC name is N-butyl-6-(trifluoromethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-6-(trifluoromethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID76847016
Molecular FormulaC10H12F3N5
Molecular Weight259.23 g/mol
Exact Mass259.10
IUPAC NameN-butyl-6-(trifluoromethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCCCNc1nc(C(F)(F)F)nc2[nH]ncc12
InChIInChI=1S/C10H12F3N5/c1-2-3-4-14-7-6-5-15-18-8(6)17-9(16-7)10(11,12)13/h5H,2-4H2,1H3,(H2,14,15,16,17,18)
InChIKeyGKVAGGCXGMKXIE-UHFFFAOYSA-N
XLogP2.58
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-6-(trifluoromethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-6-fluoro-2-(trifluoromethyl)quinazolin-4-amine
CID 110431648
N-butyl-7-methoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 110431380
8-fluoro-N-hexyl-2-(trifluoromethyl)quinazolin-4-amine
CID 110431796
6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 106296188
5-[[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 110430697
2-[[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 110430317
6-bromo-N-propyl-2-(trifluoromethyl)quinazolin-4-amine
CID 64981430
6-chloro-N-propyl-2-(trifluoromethyl)quinazolin-4-amine
CID 64981017
6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770433
N-(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106043655
6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 106424196
N-butyl-6-chloro-3-(trifluoromethyl)-1,7-naphthyridin-8-amine
CID 163410456

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(trifluoromethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-butyl-6-(trifluoromethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 76847016) is N-butyl-6-(trifluoromethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-butyl-6-(trifluoromethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-butyl-6-(trifluoromethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is CCCCNc1nc(C(F)(F)F)nc2[nH]ncc12.
What is the InChIKey of N-butyl-6-(trifluoromethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is GKVAGGCXGMKXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5/c1-2-3-4-14-7-6-5-15-18-8(6)17-9(16-7)10(11,12)13/h5H,2-4H2,1H3,(H2,14,15,16,17,18).
What are the key properties of N-butyl-6-(trifluoromethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-butyl-6-(trifluoromethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 259.23 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(trifluoromethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 76847016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).