4-imino-1-(2-methoxy-5-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine

C13H14N6O — CID 98469445

IUPAC4-imino-1-(2-methoxy-5-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine
SMILES[H]/N=c1\c2cnn(-c3cc(C)ccc3OC)c2ncn1N
InChIInChI=1S/C13H14N6O/c1-8-3-4-11(20-2)10(5-8)19-13-9(6-17-19)12(14)18(15)7-16-13/h3-7,14H,15H2,1-2H3/b14-12+
InChIKeyGPZBAQJQEWQHMV-WYMLVPIESA-N
MW270.30 g/mol
LogP0.73
Rot. Bonds2

About 4-imino-1-(2-methoxy-5-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine

4-imino-1-(2-methoxy-5-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine (PubChem CID 98469445) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 4-imino-1-(2-methoxy-5-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine.

Molecular Properties

Compound Name4-imino-1-(2-methoxy-5-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine
PubChem CID98469445
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name4-imino-1-(2-methoxy-5-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine
SMILES[H]/N=c1\c2cnn(-c3cc(C)ccc3OC)c2ncn1N
InChIInChI=1S/C13H14N6O/c1-8-3-4-11(20-2)10(5-8)19-13-9(6-17-19)12(14)18(15)7-16-13/h3-7,14H,15H2,1-2H3/b14-12+
InChIKeyGPZBAQJQEWQHMV-WYMLVPIESA-N
XLogP0.73
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-imino-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine
CID 98469428
[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine
CID 62738146
[3-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine
CID 82200722
5-(2-methoxy-5-methylphenyl)-1H-pyrazolo[4,5-d]pyridazin-4-one
CID 165392987
1-(2-methoxy-5-methylphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide
CID 82420628
1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 55142743
3-tert-butyl-1-(2-methoxy-5-methylphenyl)pyrazol-5-amine;hydrochloride
CID 44891492
10-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 4903192
ethyl 2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylbutanoate
CID 18561904
4-[(2-methoxy-4-propylphenoxy)methyl]-10-(4-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 2011879
1-(2-methoxy-5-methylphenyl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanone
CID 47088427
diethyl 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanedioate
CID 7532902

Frequently Asked Questions

What is the IUPAC name of 4-imino-1-(2-methoxy-5-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine?
The IUPAC name of 4-imino-1-(2-methoxy-5-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine (CID 98469445) is 4-imino-1-(2-methoxy-5-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine.
What is the SMILES notation for 4-imino-1-(2-methoxy-5-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine?
The canonical SMILES for 4-imino-1-(2-methoxy-5-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine is [H]/N=c1\c2cnn(-c3cc(C)ccc3OC)c2ncn1N.
What is the InChIKey of 4-imino-1-(2-methoxy-5-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine?
The InChIKey is GPZBAQJQEWQHMV-WYMLVPIESA-N. The full InChI is InChI=1S/C13H14N6O/c1-8-3-4-11(20-2)10(5-8)19-13-9(6-17-19)12(14)18(15)7-16-13/h3-7,14H,15H2,1-2H3/b14-12+.
What are the key properties of 4-imino-1-(2-methoxy-5-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine?
4-imino-1-(2-methoxy-5-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine has a molecular weight of 270.30 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1-(2-methoxy-5-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine is sourced from PubChem (CID 98469445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).