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

C13H13N5 — CID 82192765

IUPAC1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(-n2ncc3c(N)ncnc32)cc1C
InChIInChI=1S/C13H13N5/c1-8-3-4-10(5-9(8)2)18-13-11(6-17-18)12(14)15-7-16-13/h3-7H,1-2H3,(H2,14,15,16)
InChIKeyNBGZRZHHBPAQRQ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.01
Rot. Bonds1

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

1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 82192765) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID82192765
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(-n2ncc3c(N)ncnc32)cc1C
InChIInChI=1S/C13H13N5/c1-8-3-4-10(5-9(8)2)18-13-11(6-17-18)12(14)15-7-16-13/h3-7H,1-2H3,(H2,14,15,16)
InChIKeyNBGZRZHHBPAQRQ-UHFFFAOYSA-N
XLogP2.01
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 55142743
N-tert-butyl-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 41476082
1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 82192766
N-[(2R)-butan-2-yl]-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 51476762
1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 157410004
N-(2,4-dimethylphenyl)-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017606
1-(3-pyridin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 11995962
1-(3,4-dimethylphenyl)-N-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017608
1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 134608188
2-[2-[[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethoxy]ethanol
CID 17017577
1-(3,4-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 171351890
N-(3,4-dimethylphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 7188731

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 82192765) is 1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccc(-n2ncc3c(N)ncnc32)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is NBGZRZHHBPAQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-8-3-4-10(5-9(8)2)18-13-11(6-17-18)12(14)15-7-16-13/h3-7H,1-2H3,(H2,14,15,16).
What are the key properties of 1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 239.28 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 82192765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).