N-(2,2-difluoroethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C8H9F2N5 — CID 79099379

IUPACN-(2,2-difluoroethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCC(F)F)ncnc21
InChIInChI=1S/C8H9F2N5/c1-15-8-5(2-14-15)7(12-4-13-8)11-3-6(9)10/h2,4,6H,3H2,1H3,(H,11,12,13)
InChIKeyNBUJOZDDLAMOJF-UHFFFAOYSA-N
MW213.19 g/mol
LogP1.04
Rot. Bonds3

About N-(2,2-difluoroethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

N-(2,2-difluoroethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 79099379) has the molecular formula C8H9F2N5 and a molecular weight of 213.19 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID79099379
Molecular FormulaC8H9F2N5
Molecular Weight213.19 g/mol
Exact Mass213.08
IUPAC NameN-(2,2-difluoroethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCC(F)F)ncnc21
InChIInChI=1S/C8H9F2N5/c1-15-8-5(2-14-15)7(12-4-13-8)11-3-6(9)10/h2,4,6H,3H2,1H3,(H,11,12,13)
InChIKeyNBUJOZDDLAMOJF-UHFFFAOYSA-N
XLogP1.04
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 111118297
N-(2-chloro-2-phenylethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 65027355
1-(4-tert-butylphenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
CID 111421559
(1R)-1-(4-chlorophenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
CID 38006236
(1S)-1-(4-chlorophenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
CID 38006229
1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 104576315
3-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]pentanoic acid
CID 81065375
1-methyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 42886101
1-methyl-N-(2-methyl-2-methylsulfanylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 115663474
2,2-dimethyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanoic acid
CID 114285536
1-methoxy-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-2-ol
CID 103875645
(1R)-N,N-dimethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1-thiophen-3-ylethane-1,2-diamine
CID 34004018

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2,2-difluoroethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 79099379) is N-(2,2-difluoroethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(NCC(F)F)ncnc21.
What is the InChIKey of N-(2,2-difluoroethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is NBUJOZDDLAMOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N5/c1-15-8-5(2-14-15)7(12-4-13-8)11-3-6(9)10/h2,4,6H,3H2,1H3,(H,11,12,13).
What are the key properties of N-(2,2-difluoroethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(2,2-difluoroethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 213.19 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 79099379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).