5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine

C13H13N5O2 — CID 141346954

IUPAC5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCOc1ccc(-c2nc(N)c3[nH]ncc3n2)cc1OC
InChIInChI=1S/C13H13N5O2/c1-19-9-4-3-7(5-10(9)20-2)13-16-8-6-15-18-11(8)12(14)17-13/h3-6H,1-2H3,(H,15,18)(H2,14,16,17)
InChIKeyKNISTJICIWTWAI-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.62
Rot. Bonds3

About 5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine

5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 141346954) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID141346954
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCOc1ccc(-c2nc(N)c3[nH]ncc3n2)cc1OC
InChIInChI=1S/C13H13N5O2/c1-19-9-4-3-7(5-10(9)20-2)13-16-8-6-15-18-11(8)12(14)17-13/h3-6H,1-2H3,(H,15,18)(H2,14,16,17)
InChIKeyKNISTJICIWTWAI-UHFFFAOYSA-N
XLogP1.62
TPSA98.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 61025255
2-(3,4-dimethoxyphenyl)-5-ethyl-6-methylpyrimidin-4-amine
CID 62191896
4-amino-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carbonitrile
CID 116646948
N-(3,4-dimethoxyphenyl)-5-(3-methylsulfanylphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 71138170
2-(3,4-dimethoxyphenyl)pyrimidin-5-amine
CID 43142283
7-methoxy-1H-indazol-4-amine
CID 171597914
N-[3-[7-(3,4-dimethoxyanilino)-1H-pyrazolo[4,5-d]pyrimidin-5-yl]phenyl]methanesulfonamide
CID 71138114
4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 141185580
5-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazol-4-amine
CID 82475498
5-(4-amino-5,6-dimethylpyrimidin-2-yl)-2-methoxyphenol
CID 62202667
2-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82302588
2-(3-fluoro-4-methoxyphenyl)-5,6-dimethylpyrimidin-4-amine
CID 65101012

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine (CID 141346954) is 5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine is COc1ccc(-c2nc(N)c3[nH]ncc3n2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is KNISTJICIWTWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-19-9-4-3-7(5-10(9)20-2)13-16-8-6-15-18-11(8)12(14)17-13/h3-6H,1-2H3,(H,15,18)(H2,14,16,17).
What are the key properties of 5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 271.28 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 141346954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).