6-N-[(1R)-1-(2,4-difluorophenyl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine

C15H16F2N6 — CID 125139178

IUPAC6-N-[(1R)-1-(2,4-difluorophenyl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCC[C@@H](Nc1nc(N)c2cnn(C)c2n1)c1ccc(F)cc1F
InChIInChI=1S/C15H16F2N6/c1-3-12(9-5-4-8(16)6-11(9)17)20-15-21-13(18)10-7-19-23(2)14(10)22-15/h4-7,12H,3H2,1-2H3,(H3,18,20,21,22)/t12-/m1/s1
InChIKeyKKRXIEMHMDLYGS-GFCCVEGCSA-N
MW318.33 g/mol
LogP2.79
Rot. Bonds4

About 6-N-[(1R)-1-(2,4-difluorophenyl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine

6-N-[(1R)-1-(2,4-difluorophenyl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 125139178) has the molecular formula C15H16F2N6 and a molecular weight of 318.33 g/mol. Its IUPAC name is 6-N-[(1R)-1-(2,4-difluorophenyl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[(1R)-1-(2,4-difluorophenyl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID125139178
Molecular FormulaC15H16F2N6
Molecular Weight318.33 g/mol
Exact Mass318.14
IUPAC Name6-N-[(1R)-1-(2,4-difluorophenyl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCC[C@@H](Nc1nc(N)c2cnn(C)c2n1)c1ccc(F)cc1F
InChIInChI=1S/C15H16F2N6/c1-3-12(9-5-4-8(16)6-11(9)17)20-15-21-13(18)10-7-19-23(2)14(10)22-15/h4-7,12H,3H2,1-2H3,(H3,18,20,21,22)/t12-/m1/s1
InChIKeyKKRXIEMHMDLYGS-GFCCVEGCSA-N
XLogP2.79
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-[(2,5-difluorophenyl)-(3-methylsulfonylphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 167956473
6-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 134713892
N-[1-(2,4-difluorophenyl)propyl]-6-methylpyrazin-2-amine
CID 133471598
3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-1-phenylbutan-1-ol
CID 166231918
(2S)-2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-4-methylpentanoic acid
CID 122050089
6-N-(2-aminoethyl)-4-N-[(2,4-difluorophenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 155414497
6-N-[(4-chlorophenyl)-(3-methylsulfonylphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 167862158
1-(2,4-difluorophenyl)-N-propan-2-ylpropan-1-amine
CID 115641478
N-(2-bromoprop-2-enyl)-1-(2,4-difluorophenyl)propan-1-amine
CID 115717252
6-N-(2-amino-2-phenylethyl)-4-N-[(2,4-difluorophenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 155414644
1-(2,4-difluorophenyl)-N,3-dimethylpentan-1-amine
CID 63084219
1-(2,4-difluorophenyl)-N-propylethane-1,2-diamine
CID 62064444

Frequently Asked Questions

What is the IUPAC name of 6-N-[(1R)-1-(2,4-difluorophenyl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[(1R)-1-(2,4-difluorophenyl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 125139178) is 6-N-[(1R)-1-(2,4-difluorophenyl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[(1R)-1-(2,4-difluorophenyl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[(1R)-1-(2,4-difluorophenyl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine is CC[C@@H](Nc1nc(N)c2cnn(C)c2n1)c1ccc(F)cc1F.
What is the InChIKey of 6-N-[(1R)-1-(2,4-difluorophenyl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is KKRXIEMHMDLYGS-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16F2N6/c1-3-12(9-5-4-8(16)6-11(9)17)20-15-21-13(18)10-7-19-23(2)14(10)22-15/h4-7,12H,3H2,1-2H3,(H3,18,20,21,22)/t12-/m1/s1.
What are the key properties of 6-N-[(1R)-1-(2,4-difluorophenyl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
6-N-[(1R)-1-(2,4-difluorophenyl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 318.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(1R)-1-(2,4-difluorophenyl)propyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 125139178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).