6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

C11H14F4N6 — CID 106296188

IUPAC6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCCCNc1nc(NCC(F)(F)C(F)F)c2cn[nH]c2n1
InChIInChI=1S/C11H14F4N6/c1-2-3-16-10-19-7(6-4-18-21-8(6)20-10)17-5-11(14,15)9(12)13/h4,9H,2-3,5H2,1H3,(H3,16,17,18,19,20,21)
InChIKeyRHCXLVBKLJCFJM-UHFFFAOYSA-N
MW306.27 g/mol
LogP2.49
Rot. Bonds7

About 6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (PubChem CID 106296188) has the molecular formula C11H14F4N6 and a molecular weight of 306.27 g/mol. Its IUPAC name is 6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
PubChem CID106296188
Molecular FormulaC11H14F4N6
Molecular Weight306.27 g/mol
Exact Mass306.12
IUPAC Name6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCCCNc1nc(NCC(F)(F)C(F)F)c2cn[nH]c2n1
InChIInChI=1S/C11H14F4N6/c1-2-3-16-10-19-7(6-4-18-21-8(6)20-10)17-5-11(14,15)9(12)13/h4,9H,2-3,5H2,1H3,(H3,16,17,18,19,20,21)
InChIKeyRHCXLVBKLJCFJM-UHFFFAOYSA-N
XLogP2.49
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine 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

4-(3-methylbutan-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 107765545
3,5-difluoro-2-N-propyl-6-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,6-diamine
CID 106296104
2-N-ethyl-4-N-(2,2,3,3-tetrafluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 106296189
6-ethoxy-4-N-propyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine
CID 106296089
5-ethyl-6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine
CID 106296144
2,2-dimethyl-3-[[6-(propylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 114632933
4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 104830500
5-bromo-2-N-ethyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-diamine
CID 114169916
N-butyl-6-(trifluoromethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 76847016
N,2,2-trimethyl-3-[[6-(methylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]propanamide
CID 106280704
2-N-propyl-4-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine
CID 80778175
3-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106280898

Frequently Asked Questions

What is the IUPAC name of 6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (CID 106296188) is 6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is CCCNc1nc(NCC(F)(F)C(F)F)c2cn[nH]c2n1.
What is the InChIKey of 6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is RHCXLVBKLJCFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4N6/c1-2-3-16-10-19-7(6-4-18-21-8(6)20-10)17-5-11(14,15)9(12)13/h4,9H,2-3,5H2,1H3,(H3,16,17,18,19,20,21).
What are the key properties of 6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 306.27 g/mol, XLogP of 2.49, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 106296188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).