3-benzyl-5-(4-fluorophenyl)-1-methyl-4H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

C19H19FN6 — CID 68776204

IUPAC3-benzyl-5-(4-fluorophenyl)-1-methyl-4H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCn1nc(Cc2ccccc2)c2c1N=C(N)N(c1ccc(F)cc1)C2N
InChIInChI=1S/C19H19FN6/c1-25-18-16(15(24-25)11-12-5-3-2-4-6-12)17(21)26(19(22)23-18)14-9-7-13(20)8-10-14/h2-10,17H,11,21H2,1H3,(H2,22,23)
InChIKeyUVOJEVOKEUEINJ-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.57
Rot. Bonds3

About 3-benzyl-5-(4-fluorophenyl)-1-methyl-4H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

3-benzyl-5-(4-fluorophenyl)-1-methyl-4H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (PubChem CID 68776204) has the molecular formula C19H19FN6 and a molecular weight of 350.40 g/mol. Its IUPAC name is 3-benzyl-5-(4-fluorophenyl)-1-methyl-4H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name3-benzyl-5-(4-fluorophenyl)-1-methyl-4H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
PubChem CID68776204
Molecular FormulaC19H19FN6
Molecular Weight350.40 g/mol
Exact Mass350.17
IUPAC Name3-benzyl-5-(4-fluorophenyl)-1-methyl-4H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCn1nc(Cc2ccccc2)c2c1N=C(N)N(c1ccc(F)cc1)C2N
InChIInChI=1S/C19H19FN6/c1-25-18-16(15(24-25)11-12-5-3-2-4-6-12)17(21)26(19(22)23-18)14-9-7-13(20)8-10-14/h2-10,17H,11,21H2,1H3,(H2,22,23)
InChIKeyUVOJEVOKEUEINJ-UHFFFAOYSA-N
XLogP2.57
TPSA85.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-3-methyl-1H-pyrazol-5-amine
CID 769146
3-Methyl-1,4-diphenyl-1H-pyrazol-5-amine
CID 619285
1-(4-Fluorophenyl)-3-(4-methylphenyl)-1H-pyrazol-5-amine
CID 1478026
3-(4-ethylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2517678
1-benzyl-3-phenyl-1H-pyrazol-5-amine
CID 684746
1-(4-Fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]urea
CID 2810695
4-fluoro-N-methyl-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzene-1-carboximidamide
CID 2322836
3-(4-Fluorophenyl)-1-methyl-1H-pyrazol-5-amine
CID 6483872
N'-cyclopropyl-2-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
CID 2323945
N-(2-fluorophenyl)-N'-(1-methyl-3-phenyl-1H-pyrazol-5-yl)urea
CID 2815489
5-(4-Amino-phenyl)-2-p-tolyl-2H-pyrazol-3-ylamine
CID 786192
1-(2,4-Difluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]urea
CID 2810118

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(4-fluorophenyl)-1-methyl-4H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 3-benzyl-5-(4-fluorophenyl)-1-methyl-4H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (CID 68776204) is 3-benzyl-5-(4-fluorophenyl)-1-methyl-4H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 3-benzyl-5-(4-fluorophenyl)-1-methyl-4H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 3-benzyl-5-(4-fluorophenyl)-1-methyl-4H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is Cn1nc(Cc2ccccc2)c2c1N=C(N)N(c1ccc(F)cc1)C2N.
What is the InChIKey of 3-benzyl-5-(4-fluorophenyl)-1-methyl-4H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is UVOJEVOKEUEINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6/c1-25-18-16(15(24-25)11-12-5-3-2-4-6-12)17(21)26(19(22)23-18)14-9-7-13(20)8-10-14/h2-10,17H,11,21H2,1H3,(H2,22,23).
What are the key properties of 3-benzyl-5-(4-fluorophenyl)-1-methyl-4H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
3-benzyl-5-(4-fluorophenyl)-1-methyl-4H-pyrazolo[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 350.40 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(4-fluorophenyl)-1-methyl-4H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 68776204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).