4-N-(2,4-dimethylphenyl)-6-N-(furan-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine

C19H20N6O — CID 27486827

IUPAC4-N-(2,4-dimethylphenyl)-6-N-(furan-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2nc(NCc3ccco3)nc3c2cnn3C)c(C)c1
InChIInChI=1S/C19H20N6O/c1-12-6-7-16(13(2)9-12)22-17-15-11-21-25(3)18(15)24-19(23-17)20-10-14-5-4-8-26-14/h4-9,11H,10H2,1-3H3,(H2,20,22,23,24)
InChIKeyBEIICOAVDNYMCN-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.93
Rot. Bonds5

About 4-N-(2,4-dimethylphenyl)-6-N-(furan-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine

4-N-(2,4-dimethylphenyl)-6-N-(furan-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 27486827) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-N-(2,4-dimethylphenyl)-6-N-(furan-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,4-dimethylphenyl)-6-N-(furan-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID27486827
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name4-N-(2,4-dimethylphenyl)-6-N-(furan-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2nc(NCc3ccco3)nc3c2cnn3C)c(C)c1
InChIInChI=1S/C19H20N6O/c1-12-6-7-16(13(2)9-12)22-17-15-11-21-25(3)18(15)24-19(23-17)20-10-14-5-4-8-26-14/h4-9,11H,10H2,1-3H3,(H2,20,22,23,24)
InChIKeyBEIICOAVDNYMCN-UHFFFAOYSA-N
XLogP3.93
TPSA80.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethylphenyl)-6-N-(furan-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,4-dimethylphenyl)-6-N-(furan-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 27486827) is 4-N-(2,4-dimethylphenyl)-6-N-(furan-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,4-dimethylphenyl)-6-N-(furan-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,4-dimethylphenyl)-6-N-(furan-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine is Cc1ccc(Nc2nc(NCc3ccco3)nc3c2cnn3C)c(C)c1.
What is the InChIKey of 4-N-(2,4-dimethylphenyl)-6-N-(furan-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is BEIICOAVDNYMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-12-6-7-16(13(2)9-12)22-17-15-11-21-25(3)18(15)24-19(23-17)20-10-14-5-4-8-26-14/h4-9,11H,10H2,1-3H3,(H2,20,22,23,24).
What are the key properties of 4-N-(2,4-dimethylphenyl)-6-N-(furan-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
4-N-(2,4-dimethylphenyl)-6-N-(furan-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 348.41 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethylphenyl)-6-N-(furan-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 27486827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).