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

C19H17N5O — CID 661236

IUPACN-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc(Nc2ncnc3c2cnn3-c2cccc(C)c2)c1
InChIInChI=1S/C19H17N5O/c1-13-5-3-7-15(9-13)24-19-17(11-22-24)18(20-12-21-19)23-14-6-4-8-16(10-14)25-2/h3-12H,1-2H3,(H,20,21,23)
InChIKeyDTEFNRBROLTDDL-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.88
Rot. Bonds4

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

N-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 661236) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID661236
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC NameN-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc(Nc2ncnc3c2cnn3-c2cccc(C)c2)c1
InChIInChI=1S/C19H17N5O/c1-13-5-3-7-15(9-13)24-19-17(11-22-24)18(20-12-21-19)23-14-6-4-8-16(10-14)25-2/h3-12H,1-2H3,(H,20,21,23)
InChIKeyDTEFNRBROLTDDL-UHFFFAOYSA-N
XLogP3.88
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 661236) is N-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is COc1cccc(Nc2ncnc3c2cnn3-c2cccc(C)c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is DTEFNRBROLTDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-13-5-3-7-15(9-13)24-19-17(11-22-24)18(20-12-21-19)23-14-6-4-8-16(10-14)25-2/h3-12H,1-2H3,(H,20,21,23).
What are the key properties of N-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 331.38 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 661236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).