2-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C19H16ClN5O — CID 110171172

IUPAC2-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2nc(N)c3cn(Cc4ccccc4Cl)nc3n2)c1
InChIInChI=1S/C19H16ClN5O/c1-26-14-7-4-6-12(9-14)18-22-17(21)15-11-25(24-19(15)23-18)10-13-5-2-3-8-16(13)20/h2-9,11H,10H2,1H3,(H2,21,22,23,24)
InChIKeySMOSMFFJMHUSDG-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.79
Rot. Bonds4

About 2-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

2-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 110171172) has the molecular formula C19H16ClN5O and a molecular weight of 365.82 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID110171172
Molecular FormulaC19H16ClN5O
Molecular Weight365.82 g/mol
Exact Mass365.10
IUPAC Name2-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2nc(N)c3cn(Cc4ccccc4Cl)nc3n2)c1
InChIInChI=1S/C19H16ClN5O/c1-26-14-7-4-6-12(9-14)18-22-17(21)15-11-25(24-19(15)23-18)10-13-5-2-3-8-16(13)20/h2-9,11H,10H2,1H3,(H2,21,22,23,24)
InChIKeySMOSMFFJMHUSDG-UHFFFAOYSA-N
XLogP3.79
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2,6-dichlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110171339
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509760
2-[(2-methylphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 146268686
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methoxybenzamide
CID 19287018
2-(3-methoxyphenyl)-7-methylquinazolin-4-amine
CID 71193032
7-fluoro-2-(3-methoxyphenyl)quinazolin-4-amine
CID 64983270
[1-[(2-chlorophenyl)methyl]-5-(3-methoxyphenyl)pyrazol-3-yl]methyl-triphenylphosphanium
CID 134587065
4-(2-chlorophenyl)-6-(3-methoxyphenyl)pyrimidin-2-amine
CID 75359889
2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 45278785
6-(methoxymethyl)-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 62319493
4,6-dichloro-5-fluoro-2-(3-methoxyphenyl)pyrimidine
CID 80550230
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
CID 39854132

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 110171172) is 2-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is COc1cccc(-c2nc(N)c3cn(Cc4ccccc4Cl)nc3n2)c1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is SMOSMFFJMHUSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O/c1-26-14-7-4-6-12(9-14)18-22-17(21)15-11-25(24-19(15)23-18)10-13-5-2-3-8-16(13)20/h2-9,11H,10H2,1H3,(H2,21,22,23,24).
What are the key properties of 2-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
2-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 365.82 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 110171172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).