2-(3-fluorophenyl)-4-(4-fluorophenyl)-6-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine

C20H18F2N6 — CID 42807960

IUPAC2-(3-fluorophenyl)-4-(4-fluorophenyl)-6-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESCC(C)Nc1nc(-c2ccc(F)cc2)c2c(N)n(-c3cccc(F)c3)nc2n1
InChIInChI=1S/C20H18F2N6/c1-11(2)24-20-25-17(12-6-8-13(21)9-7-12)16-18(23)28(27-19(16)26-20)15-5-3-4-14(22)10-15/h3-11H,23H2,1-2H3,(H,24,26,27)
InChIKeyXSXOZLYKRVHNLL-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.16
Rot. Bonds4

About 2-(3-fluorophenyl)-4-(4-fluorophenyl)-6-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine

2-(3-fluorophenyl)-4-(4-fluorophenyl)-6-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine (PubChem CID 42807960) has the molecular formula C20H18F2N6 and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-(4-fluorophenyl)-6-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-(4-fluorophenyl)-6-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine
PubChem CID42807960
Molecular FormulaC20H18F2N6
Molecular Weight380.40 g/mol
Exact Mass380.16
IUPAC Name2-(3-fluorophenyl)-4-(4-fluorophenyl)-6-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESCC(C)Nc1nc(-c2ccc(F)cc2)c2c(N)n(-c3cccc(F)c3)nc2n1
InChIInChI=1S/C20H18F2N6/c1-11(2)24-20-25-17(12-6-8-13(21)9-7-12)16-18(23)28(27-19(16)26-20)15-5-3-4-14(22)10-15/h3-11H,23H2,1-2H3,(H,24,26,27)
InChIKeyXSXOZLYKRVHNLL-UHFFFAOYSA-N
XLogP4.16
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-chlorophenyl)-2-(3-fluorophenyl)-6-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668068
2-(3-fluorophenyl)-4-(4-fluorophenyl)-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42807963
4-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-6-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42808067
4-(4-chlorophenyl)-2-(3-fluorophenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 93297361
4-(4-chlorophenyl)-2-(3-fluorophenyl)-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42808028
6-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-(3-fluorophenyl)-4-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42667976
6-N-benzyl-2,4-bis(4-fluorophenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42807953
4-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668159
4-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-6-N-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668157
6-N-(1,3-benzodioxol-5-ylmethyl)-4-(4-fluorophenyl)-2-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42807989
4-(2,4-difluorophenyl)-6-N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668757
4-(3-fluorophenyl)-2-(4-fluorophenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668860

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-(4-fluorophenyl)-6-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
The IUPAC name of 2-(3-fluorophenyl)-4-(4-fluorophenyl)-6-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine (CID 42807960) is 2-(3-fluorophenyl)-4-(4-fluorophenyl)-6-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine.
What is the SMILES notation for 2-(3-fluorophenyl)-4-(4-fluorophenyl)-6-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
The canonical SMILES for 2-(3-fluorophenyl)-4-(4-fluorophenyl)-6-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine is CC(C)Nc1nc(-c2ccc(F)cc2)c2c(N)n(-c3cccc(F)c3)nc2n1.
What is the InChIKey of 2-(3-fluorophenyl)-4-(4-fluorophenyl)-6-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
The InChIKey is XSXOZLYKRVHNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6/c1-11(2)24-20-25-17(12-6-8-13(21)9-7-12)16-18(23)28(27-19(16)26-20)15-5-3-4-14(22)10-15/h3-11H,23H2,1-2H3,(H,24,26,27).
What are the key properties of 2-(3-fluorophenyl)-4-(4-fluorophenyl)-6-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
2-(3-fluorophenyl)-4-(4-fluorophenyl)-6-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine has a molecular weight of 380.40 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-(4-fluorophenyl)-6-N-propan-2-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine is sourced from PubChem (CID 42807960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).