6-N-cyclopentyl-4-N-[(2,5-dimethoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine

C20H26N6O2 — CID 50795266

IUPAC6-N-cyclopentyl-4-N-[(2,5-dimethoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCOc1ccc(OC)c(CNc2nc(NC3CCCC3)nc3c2cnn3C)c1
InChIInChI=1S/C20H26N6O2/c1-26-19-16(12-22-26)18(24-20(25-19)23-14-6-4-5-7-14)21-11-13-10-15(27-2)8-9-17(13)28-3/h8-10,12,14H,4-7,11H2,1-3H3,(H2,21,23,24,25)
InChIKeyHMDRMEUXXKODKI-UHFFFAOYSA-N
MW382.47 g/mol
LogP3.35
Rot. Bonds7

About 6-N-cyclopentyl-4-N-[(2,5-dimethoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine

6-N-cyclopentyl-4-N-[(2,5-dimethoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 50795266) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 6-N-cyclopentyl-4-N-[(2,5-dimethoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-cyclopentyl-4-N-[(2,5-dimethoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID50795266
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name6-N-cyclopentyl-4-N-[(2,5-dimethoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCOc1ccc(OC)c(CNc2nc(NC3CCCC3)nc3c2cnn3C)c1
InChIInChI=1S/C20H26N6O2/c1-26-19-16(12-22-26)18(24-20(25-19)23-14-6-4-5-7-14)21-11-13-10-15(27-2)8-9-17(13)28-3/h8-10,12,14H,4-7,11H2,1-3H3,(H2,21,23,24,25)
InChIKeyHMDRMEUXXKODKI-UHFFFAOYSA-N
XLogP3.35
TPSA86.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-N-cyclopentyl-4-N-[(2,5-dimethoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-[(2,5-dimethoxyphenyl)methyl]-6-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 50795295
4-N-[(2,5-dimethoxyphenyl)methyl]-6-N-(3-methoxypropyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 50795281
N-[(2,5-dimethoxyphenyl)methyl]-1-methyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795273
4-N-[(4-methoxyphenyl)methyl]-6-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 50795340
2-N-cyclopentyl-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963368
6-N-cyclopentyl-1-methyl-4-N-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 44826614
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70754083
2-[[6-(3,4-dimethoxyanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
CID 7162561
4-N-(2,5-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 17017044
4-[(2,5-dimethoxyphenyl)methylamino]-1-methylpyrazole-5-carboxylic acid
CID 19624729
6-N-(2-methoxyethyl)-4-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 50758354

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopentyl-4-N-[(2,5-dimethoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-cyclopentyl-4-N-[(2,5-dimethoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 50795266) is 6-N-cyclopentyl-4-N-[(2,5-dimethoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-cyclopentyl-4-N-[(2,5-dimethoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-cyclopentyl-4-N-[(2,5-dimethoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine is COc1ccc(OC)c(CNc2nc(NC3CCCC3)nc3c2cnn3C)c1.
What is the InChIKey of 6-N-cyclopentyl-4-N-[(2,5-dimethoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is HMDRMEUXXKODKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-26-19-16(12-22-26)18(24-20(25-19)23-14-6-4-5-7-14)21-11-13-10-15(27-2)8-9-17(13)28-3/h8-10,12,14H,4-7,11H2,1-3H3,(H2,21,23,24,25).
What are the key properties of 6-N-cyclopentyl-4-N-[(2,5-dimethoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
6-N-cyclopentyl-4-N-[(2,5-dimethoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 382.47 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopentyl-4-N-[(2,5-dimethoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 50795266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).