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

C14H14F2N6 — CID 134158228

IUPAC6-N-(3,4-difluorophenyl)-4-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCCNc1nc(Nc2ccc(F)c(F)c2)nc2c1cnn2C
InChIInChI=1S/C14H14F2N6/c1-3-17-12-9-7-18-22(2)13(9)21-14(20-12)19-8-4-5-10(15)11(16)6-8/h4-7H,3H2,1-2H3,(H2,17,19,20,21)
InChIKeyVBGWXMNKCTWZHO-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.82
Rot. Bonds4

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

6-N-(3,4-difluorophenyl)-4-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 134158228) has the molecular formula C14H14F2N6 and a molecular weight of 304.30 g/mol. Its IUPAC name is 6-N-(3,4-difluorophenyl)-4-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3,4-difluorophenyl)-4-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID134158228
Molecular FormulaC14H14F2N6
Molecular Weight304.30 g/mol
Exact Mass304.12
IUPAC Name6-N-(3,4-difluorophenyl)-4-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCCNc1nc(Nc2ccc(F)c(F)c2)nc2c1cnn2C
InChIInChI=1S/C14H14F2N6/c1-3-17-12-9-7-18-22(2)13(9)21-14(20-12)19-8-4-5-10(15)11(16)6-8/h4-7H,3H2,1-2H3,(H2,17,19,20,21)
InChIKeyVBGWXMNKCTWZHO-UHFFFAOYSA-N
XLogP2.82
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 134158210
6-N-(3,4-difluorophenyl)-4-N-(3-methoxycyclohexyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 134158284
4-N-benzyl-6-N-(3-fluorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 8547337
4-N-(3-chlorophenyl)-6-N-(4-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 8545698
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
4-[[[6-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]-3-fluorobenzenesulfonamide
CID 156539056
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
4-N-(4-chlorophenyl)-6-N-[2-(diethylamino)ethyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 50795161
6-N-(4-chlorophenyl)-4-N-(2,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride
CID 163335716

Frequently Asked Questions

What is the IUPAC name of 6-N-(3,4-difluorophenyl)-4-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3,4-difluorophenyl)-4-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 134158228) is 6-N-(3,4-difluorophenyl)-4-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3,4-difluorophenyl)-4-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3,4-difluorophenyl)-4-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine is CCNc1nc(Nc2ccc(F)c(F)c2)nc2c1cnn2C.
What is the InChIKey of 6-N-(3,4-difluorophenyl)-4-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is VBGWXMNKCTWZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N6/c1-3-17-12-9-7-18-22(2)13(9)21-14(20-12)19-8-4-5-10(15)11(16)6-8/h4-7H,3H2,1-2H3,(H2,17,19,20,21).
What are the key properties of 6-N-(3,4-difluorophenyl)-4-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
6-N-(3,4-difluorophenyl)-4-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 304.30 g/mol, XLogP of 2.82, 4 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-ethyl-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 134158228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).