6-N-(2-aminoethyl)-4-N-(1-benzofuran-5-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine

C17H19N7O — CID 155414269

IUPAC6-N-(2-aminoethyl)-4-N-(1-benzofuran-5-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCn1ncc2c(NCc3ccc4occc4c3)nc(NCCN)nc21
InChIInChI=1S/C17H19N7O/c1-24-16-13(10-21-24)15(22-17(23-16)19-6-5-18)20-9-11-2-3-14-12(8-11)4-7-25-14/h2-4,7-8,10H,5-6,9,18H2,1H3,(H2,19,20,22,23)
InChIKeyYPXAKIJSVHKLFV-UHFFFAOYSA-N
MW337.39 g/mol
LogP2.09
Rot. Bonds6

About 6-N-(2-aminoethyl)-4-N-(1-benzofuran-5-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine

6-N-(2-aminoethyl)-4-N-(1-benzofuran-5-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 155414269) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is 6-N-(2-aminoethyl)-4-N-(1-benzofuran-5-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2-aminoethyl)-4-N-(1-benzofuran-5-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID155414269
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name6-N-(2-aminoethyl)-4-N-(1-benzofuran-5-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCn1ncc2c(NCc3ccc4occc4c3)nc(NCCN)nc21
InChIInChI=1S/C17H19N7O/c1-24-16-13(10-21-24)15(22-17(23-16)19-6-5-18)20-9-11-2-3-14-12(8-11)4-7-25-14/h2-4,7-8,10H,5-6,9,18H2,1H3,(H2,19,20,22,23)
InChIKeyYPXAKIJSVHKLFV-UHFFFAOYSA-N
XLogP2.09
TPSA106.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-N-(2-aminoethyl)-4-N-(1-benzofuran-5-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine with MolForge

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Related Compounds

6-N-(2-aminoethyl)-4-N-[(2,4-difluorophenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 155414497
2-[[1-methyl-4-[(3-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol
CID 50795443
4-N-benzyl-1-methyl-6-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 7216335
3-[[4-[(4-iodophenyl)methylamino]-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]propan-1-ol
CID 71030668
3-[[1-methyl-4-[(3-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]amino]propan-1-ol
CID 46345420
6-N-(2-amino-3-methoxypropyl)-4-N-[(3-chloro-4-methylphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 155413950
6-N-[(2S)-1-aminobutan-2-yl]-4-N-[(3-chloro-4-methylphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 166036460
4-N-[(4-methoxyphenyl)methyl]-6-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 50795340
6-N-[2-[ethyl(propyl)amino]ethyl]-1-methyl-4-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 143765775
6-N-[(1-aminocyclopropyl)methyl]-4-N-[(4-bromophenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 155414490
4-N-[2-(4-fluorophenyl)ethyl]-1-methyl-6-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 166397978
5-[[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-1,3-dimethylbenzimidazol-2-one
CID 56883067

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-aminoethyl)-4-N-(1-benzofuran-5-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2-aminoethyl)-4-N-(1-benzofuran-5-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 155414269) is 6-N-(2-aminoethyl)-4-N-(1-benzofuran-5-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2-aminoethyl)-4-N-(1-benzofuran-5-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2-aminoethyl)-4-N-(1-benzofuran-5-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine is Cn1ncc2c(NCc3ccc4occc4c3)nc(NCCN)nc21.
What is the InChIKey of 6-N-(2-aminoethyl)-4-N-(1-benzofuran-5-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is YPXAKIJSVHKLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c1-24-16-13(10-21-24)15(22-17(23-16)19-6-5-18)20-9-11-2-3-14-12(8-11)4-7-25-14/h2-4,7-8,10H,5-6,9,18H2,1H3,(H2,19,20,22,23).
What are the key properties of 6-N-(2-aminoethyl)-4-N-(1-benzofuran-5-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
6-N-(2-aminoethyl)-4-N-(1-benzofuran-5-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 337.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-aminoethyl)-4-N-(1-benzofuran-5-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 155414269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).