4-(2,3-difluorophenyl)-6-N-ethyl-6-N,2-dimethylpyrazolo[3,4-d]pyrimidine-3,6-diamine

C15H16F2N6 — CID 42669304

IUPAC4-(2,3-difluorophenyl)-6-N-ethyl-6-N,2-dimethylpyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESCCN(C)c1nc(-c2cccc(F)c2F)c2c(N)n(C)nc2n1
InChIInChI=1S/C15H16F2N6/c1-4-22(2)15-19-12(8-6-5-7-9(16)11(8)17)10-13(18)23(3)21-14(10)20-15/h5-7H,4,18H2,1-3H3
InChIKeyXJGPYPQTHOBTCY-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.35
Rot. Bonds3

About 4-(2,3-difluorophenyl)-6-N-ethyl-6-N,2-dimethylpyrazolo[3,4-d]pyrimidine-3,6-diamine

4-(2,3-difluorophenyl)-6-N-ethyl-6-N,2-dimethylpyrazolo[3,4-d]pyrimidine-3,6-diamine (PubChem CID 42669304) has the molecular formula C15H16F2N6 and a molecular weight of 318.33 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-6-N-ethyl-6-N,2-dimethylpyrazolo[3,4-d]pyrimidine-3,6-diamine.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-6-N-ethyl-6-N,2-dimethylpyrazolo[3,4-d]pyrimidine-3,6-diamine
PubChem CID42669304
Molecular FormulaC15H16F2N6
Molecular Weight318.33 g/mol
Exact Mass318.14
IUPAC Name4-(2,3-difluorophenyl)-6-N-ethyl-6-N,2-dimethylpyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESCCN(C)c1nc(-c2cccc(F)c2F)c2c(N)n(C)nc2n1
InChIInChI=1S/C15H16F2N6/c1-4-22(2)15-19-12(8-6-5-7-9(16)11(8)17)10-13(18)23(3)21-14(10)20-15/h5-7H,4,18H2,1-3H3
InChIKeyXJGPYPQTHOBTCY-UHFFFAOYSA-N
XLogP2.35
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,3-difluorophenyl)-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42669306
4-(2,3-difluorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42669297
4-(2,3-difluorophenyl)-6-N-(2-methoxyethyl)-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42669292
2-tert-butyl-4-(2,3-difluorophenyl)-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-amine
CID 42669194
6-N-(cyclopropylmethyl)-4-(2-fluorophenyl)-2-methylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42808241
4-(2,3-difluorophenyl)-6-N-(2-methoxyethyl)-2-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42669231
4-(2-fluorophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668546
3-(2,3-difluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
CID 80522283
2-cyclopropyl-5-(2,3-difluorophenyl)-3-methylimidazol-4-amine
CID 63668733
2-(2-chlorophenyl)-4-(2,3-difluorophenyl)-6-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42808419
6-N-cyclopentyl-4-(2,3-difluorophenyl)-2-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42669251
4-(2,4-difluorophenyl)-2-methyl-6-N-(2-phenoxyethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668772

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-6-N-ethyl-6-N,2-dimethylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
The IUPAC name of 4-(2,3-difluorophenyl)-6-N-ethyl-6-N,2-dimethylpyrazolo[3,4-d]pyrimidine-3,6-diamine (CID 42669304) is 4-(2,3-difluorophenyl)-6-N-ethyl-6-N,2-dimethylpyrazolo[3,4-d]pyrimidine-3,6-diamine.
What is the SMILES notation for 4-(2,3-difluorophenyl)-6-N-ethyl-6-N,2-dimethylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
The canonical SMILES for 4-(2,3-difluorophenyl)-6-N-ethyl-6-N,2-dimethylpyrazolo[3,4-d]pyrimidine-3,6-diamine is CCN(C)c1nc(-c2cccc(F)c2F)c2c(N)n(C)nc2n1.
What is the InChIKey of 4-(2,3-difluorophenyl)-6-N-ethyl-6-N,2-dimethylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
The InChIKey is XJGPYPQTHOBTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N6/c1-4-22(2)15-19-12(8-6-5-7-9(16)11(8)17)10-13(18)23(3)21-14(10)20-15/h5-7H,4,18H2,1-3H3.
What are the key properties of 4-(2,3-difluorophenyl)-6-N-ethyl-6-N,2-dimethylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
4-(2,3-difluorophenyl)-6-N-ethyl-6-N,2-dimethylpyrazolo[3,4-d]pyrimidine-3,6-diamine has a molecular weight of 318.33 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-6-N-ethyl-6-N,2-dimethylpyrazolo[3,4-d]pyrimidine-3,6-diamine is sourced from PubChem (CID 42669304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).