N-(2,2-difluoroethyl)-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C8H9F2N5 — CID 178106094

IUPACN-(2,2-difluoroethyl)-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(CC(F)F)c1ncnc2[nH]ncc12
InChIInChI=1S/C8H9F2N5/c1-15(3-6(9)10)8-5-2-13-14-7(5)11-4-12-8/h2,4,6H,3H2,1H3,(H,11,12,13,14)
InChIKeyWLIKMSJVLFWKJB-UHFFFAOYSA-N
MW213.19 g/mol
LogP1.05
Rot. Bonds3

About N-(2,2-difluoroethyl)-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-(2,2-difluoroethyl)-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 178106094) has the molecular formula C8H9F2N5 and a molecular weight of 213.19 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID178106094
Molecular FormulaC8H9F2N5
Molecular Weight213.19 g/mol
Exact Mass213.08
IUPAC NameN-(2,2-difluoroethyl)-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(CC(F)F)c1ncnc2[nH]ncc12
InChIInChI=1S/C8H9F2N5/c1-15(3-6(9)10)8-5-2-13-14-7(5)11-4-12-8/h2,4,6H,3H2,1H3,(H,11,12,13,14)
InChIKeyWLIKMSJVLFWKJB-UHFFFAOYSA-N
XLogP1.05
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-methylpropyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133276812
2-methyl-3-[methyl(1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid
CID 122064944
N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 167952507
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133431087
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 99782514
N-(2,2-difluoroethyl)-N-methyl-4-[(propan-2-ylamino)methyl]isoquinolin-1-amine
CID 106776918
ethane;4-methyl-1H-pyrazolo[3,4-d]pyrimidine
CID 143782754
N-benzyl-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133383867
1-[4-(2,4-difluorophenoxy)-2-fluoro-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)anilino]propan-2-ol
CID 91288233
4-[2,2-difluoroethyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137009953
5-amino-6-[2,2-difluoroethyl(methyl)amino]pyridine-3-carbonitrile
CID 103469188
N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 154741257

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2,2-difluoroethyl)-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 178106094) is N-(2,2-difluoroethyl)-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine is CN(CC(F)F)c1ncnc2[nH]ncc12.
What is the InChIKey of N-(2,2-difluoroethyl)-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is WLIKMSJVLFWKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N5/c1-15(3-6(9)10)8-5-2-13-14-7(5)11-4-12-8/h2,4,6H,3H2,1H3,(H,11,12,13,14).
What are the key properties of N-(2,2-difluoroethyl)-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-(2,2-difluoroethyl)-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 213.19 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 178106094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).