2-propyl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-d]pyrimidin-6-amine

C11H14F3N5 — CID 141189456

IUPAC2-propyl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCCCn1cc2cnc(NCCC(F)(F)F)nc2n1
InChIInChI=1S/C11H14F3N5/c1-2-5-19-7-8-6-16-10(17-9(8)18-19)15-4-3-11(12,13)14/h6-7H,2-5H2,1H3,(H,15,17,18)
InChIKeyGNDQNTDKIJWDNS-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.60
Rot. Bonds5

About 2-propyl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-d]pyrimidin-6-amine

2-propyl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 141189456) has the molecular formula C11H14F3N5 and a molecular weight of 273.26 g/mol. Its IUPAC name is 2-propyl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name2-propyl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID141189456
Molecular FormulaC11H14F3N5
Molecular Weight273.26 g/mol
Exact Mass273.12
IUPAC Name2-propyl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCCCn1cc2cnc(NCCC(F)(F)F)nc2n1
InChIInChI=1S/C11H14F3N5/c1-2-5-19-7-8-6-16-10(17-9(8)18-19)15-4-3-11(12,13)14/h6-7H,2-5H2,1H3,(H,15,17,18)
InChIKeyGNDQNTDKIJWDNS-UHFFFAOYSA-N
XLogP2.60
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-propyl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-d]pyrimidin-6-amine with MolForge

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Related Compounds

1H-Pyrazolo[3,4-d]pyrimidin-4-amine
CID 75420
1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 94753
2-undecyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11289252
2-decyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11380352
N,N-Dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221159
n-Methyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221158
2-nonyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11149670
2-octyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11242074
4-N-methyl-2-N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69091994
4-N-methyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69092378
N-ethyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219754
N-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221086

Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 2-propyl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-d]pyrimidin-6-amine (CID 141189456) is 2-propyl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 2-propyl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 2-propyl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-d]pyrimidin-6-amine is CCCn1cc2cnc(NCCC(F)(F)F)nc2n1.
What is the InChIKey of 2-propyl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is GNDQNTDKIJWDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5/c1-2-5-19-7-8-6-16-10(17-9(8)18-19)15-4-3-11(12,13)14/h6-7H,2-5H2,1H3,(H,15,17,18).
What are the key properties of 2-propyl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-d]pyrimidin-6-amine?
2-propyl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 273.26 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 141189456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).