1-methyl-3-(4-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C19H17N5O — CID 52942202

IUPAC1-methyl-3-(4-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1nc(-c2ccc(OCc3ccccc3)cc2)c2c(N)ncnc21
InChIInChI=1S/C19H17N5O/c1-24-19-16(18(20)21-12-22-19)17(23-24)14-7-9-15(10-8-14)25-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H2,20,21,22)
InChIKeyXLCLMAZCEFJFTM-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.19
Rot. Bonds4

About 1-methyl-3-(4-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-3-(4-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 52942202) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 1-methyl-3-(4-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-3-(4-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID52942202
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name1-methyl-3-(4-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1nc(-c2ccc(OCc3ccccc3)cc2)c2c(N)ncnc21
InChIInChI=1S/C19H17N5O/c1-24-19-16(18(20)21-12-22-19)17(23-24)14-7-9-15(10-8-14)25-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H2,20,21,22)
InChIKeyXLCLMAZCEFJFTM-UHFFFAOYSA-N
XLogP3.19
TPSA78.85 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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenoxy]phenoxy]methyl]benzonitrile
CID 72695342
3-(1-benzylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58269290
3-(6-phenylmethoxynaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-propan-2-yl-3-(6-prop-2-enoxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 122443103
1-methyl-3-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 58269223
5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-bromophenol
CID 24905331
3-[4-[3-fluoro-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 72694434
1-(1-methylazetidin-3-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 163550222
3-(4-ethoxy-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 166787512
3-(4-phenoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 167362273
3-(4-fluoro-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58269199
[4-[[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl] acetate
CID 175032696
1-(2-ethylphenyl)-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 86766176

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-3-(4-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 52942202) is 1-methyl-3-(4-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-3-(4-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-3-(4-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cn1nc(-c2ccc(OCc3ccccc3)cc2)c2c(N)ncnc21.
What is the InChIKey of 1-methyl-3-(4-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is XLCLMAZCEFJFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-24-19-16(18(20)21-12-22-19)17(23-24)14-7-9-15(10-8-14)25-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H2,20,21,22).
What are the key properties of 1-methyl-3-(4-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-3-(4-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 331.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 52942202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).