N-[(4-methoxyphenyl)methyl]-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C20H19N5O — CID 866527

IUPACN-[(4-methoxyphenyl)methyl]-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2ncnc3c2cnn3-c2cccc(C)c2)cc1
InChIInChI=1S/C20H19N5O/c1-14-4-3-5-16(10-14)25-20-18(12-24-25)19(22-13-23-20)21-11-15-6-8-17(26-2)9-7-15/h3-10,12-13H,11H2,1-2H3,(H,21,22,23)
InChIKeyKSESLOVJGZDCDV-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.74
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

N-[(4-methoxyphenyl)methyl]-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 866527) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID866527
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2ncnc3c2cnn3-c2cccc(C)c2)cc1
InChIInChI=1S/C20H19N5O/c1-14-4-3-5-16(10-14)25-20-18(12-24-25)19(22-13-23-20)21-11-15-6-8-17(26-2)9-7-15/h3-10,12-13H,11H2,1-2H3,(H,21,22,23)
InChIKeyKSESLOVJGZDCDV-UHFFFAOYSA-N
XLogP3.74
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 866527) is N-[(4-methoxyphenyl)methyl]-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc(CNc2ncnc3c2cnn3-c2cccc(C)c2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is KSESLOVJGZDCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-14-4-3-5-16(10-14)25-20-18(12-24-25)19(22-13-23-20)21-11-15-6-8-17(26-2)9-7-15/h3-10,12-13H,11H2,1-2H3,(H,21,22,23).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-[(4-methoxyphenyl)methyl]-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 345.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 866527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).