1-(3,4-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine

C19H18N6O — CID 171351890

IUPAC1-(3,4-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)c(C)c2)cn1
InChIInChI=1S/C19H18N6O/c1-12-4-6-15(8-13(12)2)25-19-16(10-23-25)18(21-11-22-19)24-14-5-7-17(26-3)20-9-14/h4-11H,1-3H3,(H,21,22,24)
InChIKeyDBETYCCNDHCTNK-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.58
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-(3,4-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 171351890) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID171351890
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name1-(3,4-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)c(C)c2)cn1
InChIInChI=1S/C19H18N6O/c1-12-4-6-15(8-13(12)2)25-19-16(10-23-25)18(21-11-22-19)24-14-5-7-17(26-3)20-9-14/h4-11H,1-3H3,(H,21,22,24)
InChIKeyDBETYCCNDHCTNK-UHFFFAOYSA-N
XLogP3.58
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethylphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 7188731
N-(3-chloro-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 41476106
1-(3-chloro-4-methylphenyl)-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017510
1-(3,4-dimethylphenyl)-N-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017608
N-tert-butyl-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 41476082
N-(2,4-dimethylphenyl)-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017606
1-(3-chloro-4-methylphenyl)-N-[4-(4-chlorophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 41427946
N-(3-chloro-4-methylphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 4531059
1-(3-fluorophenyl)-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110434963
N-[(2R)-butan-2-yl]-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 51476762
N-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 1069938
1-(4-methoxyphenyl)-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 661214

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 171351890) is 1-(3,4-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)c(C)c2)cn1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is DBETYCCNDHCTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-12-4-6-15(8-13(12)2)25-19-16(10-23-25)18(21-11-22-19)24-14-5-7-17(26-3)20-9-14/h4-11H,1-3H3,(H,21,22,24).
What are the key properties of 1-(3,4-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-(3,4-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 346.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 171351890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).