N-[(2-methoxyphenyl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

C15H17N5O — CID 110431901

IUPACN-[(2-methoxyphenyl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1ncnc2c1c(C)nn2C
InChIInChI=1S/C15H17N5O/c1-10-13-14(17-9-18-15(13)20(2)19-10)16-8-11-6-4-5-7-12(11)21-3/h4-7,9H,8H2,1-3H3,(H,16,17,18)
InChIKeyJHUFXMLTNXHLAU-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.29
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

N-[(2-methoxyphenyl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 110431901) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID110431901
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1ncnc2c1c(C)nn2C
InChIInChI=1S/C15H17N5O/c1-10-13-14(17-9-18-15(13)20(2)19-10)16-8-11-6-4-5-7-12(11)21-3/h4-7,9H,8H2,1-3H3,(H,16,17,18)
InChIKeyJHUFXMLTNXHLAU-UHFFFAOYSA-N
XLogP2.29
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431893
1-but-3-ynyl-N-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 171090745
N-[(2-methoxyphenyl)methyl]-1,4-dimethylpyrazol-3-amine
CID 122168805
1,3-dimethyl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 56899250
7-(3-chloro-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 23933163
4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine
CID 53443506
N-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 110431927
6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-5-propylpyrimidin-4-amine
CID 80911879
N'-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)hexane-1,6-diamine
CID 70751320
1,3-dimethyl-N-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110434899
1-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazol-3-amine;hydrochloride
CID 126966436
(2R,3S,4S)-2-(hydroxymethyl)-5-[6-[(2-methoxyphenyl)methylamino]purin-9-yl]oxolane-3,4-diol
CID 121399345

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (CID 110431901) is N-[(2-methoxyphenyl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is COc1ccccc1CNc1ncnc2c1c(C)nn2C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is JHUFXMLTNXHLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-10-13-14(17-9-18-15(13)20(2)19-10)16-8-11-6-4-5-7-12(11)21-3/h4-7,9H,8H2,1-3H3,(H,16,17,18).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[(2-methoxyphenyl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 283.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 110431901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).