6-N-(3,4-difluorophenyl)-4-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine

C13H12F2N6 — CID 134158210

IUPAC6-N-(3,4-difluorophenyl)-4-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCNc1nc(Nc2ccc(F)c(F)c2)nc2c1cnn2C
InChIInChI=1S/C13H12F2N6/c1-16-11-8-6-17-21(2)12(8)20-13(19-11)18-7-3-4-9(14)10(15)5-7/h3-6H,1-2H3,(H2,16,18,19,20)
InChIKeyKMLIWRDUBJRFNV-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.43
Rot. Bonds3

About 6-N-(3,4-difluorophenyl)-4-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine

6-N-(3,4-difluorophenyl)-4-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 134158210) has the molecular formula C13H12F2N6 and a molecular weight of 290.28 g/mol. Its IUPAC name is 6-N-(3,4-difluorophenyl)-4-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3,4-difluorophenyl)-4-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID134158210
Molecular FormulaC13H12F2N6
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Name6-N-(3,4-difluorophenyl)-4-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCNc1nc(Nc2ccc(F)c(F)c2)nc2c1cnn2C
InChIInChI=1S/C13H12F2N6/c1-16-11-8-6-17-21(2)12(8)20-13(19-11)18-7-3-4-9(14)10(15)5-7/h3-6H,1-2H3,(H2,16,18,19,20)
InChIKeyKMLIWRDUBJRFNV-UHFFFAOYSA-N
XLogP2.43
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(3,4-difluorophenyl)-4-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 134158228
4-N-(2,2-difluoroethyl)-6-N-(3,4-difluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 134158219
6-N-(3,4-difluorophenyl)-4-N-(3-methoxycyclohexyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 134158284
4-N-(3-chlorophenyl)-6-N-(4-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 8545698
6-N-(3,4-dimethylphenyl)-1-methyl-4-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 8545365
4-N-(2,4-dimethylphenyl)-6-N-(4-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 27486830
6-N-(4-chlorophenyl)-4-N-(2,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride
CID 163335716
4-N-benzyl-6-N-(3-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 8547337
2-[[6-(3-chloroanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
CID 7216354
2-[[6-(3,4-dimethoxyanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
CID 7162561
6-N-(3-chlorophenyl)-4-N-(2,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 7162513
1-methyl-4-N-(2-methylphenyl)-6-N-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride
CID 163331024

Frequently Asked Questions

What is the IUPAC name of 6-N-(3,4-difluorophenyl)-4-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3,4-difluorophenyl)-4-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 134158210) is 6-N-(3,4-difluorophenyl)-4-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3,4-difluorophenyl)-4-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3,4-difluorophenyl)-4-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine is CNc1nc(Nc2ccc(F)c(F)c2)nc2c1cnn2C.
What is the InChIKey of 6-N-(3,4-difluorophenyl)-4-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is KMLIWRDUBJRFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N6/c1-16-11-8-6-17-21(2)12(8)20-13(19-11)18-7-3-4-9(14)10(15)5-7/h3-6H,1-2H3,(H2,16,18,19,20).
What are the key properties of 6-N-(3,4-difluorophenyl)-4-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
6-N-(3,4-difluorophenyl)-4-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 290.28 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,4-difluorophenyl)-4-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 134158210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).