2-[[1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol

C15H17N5O — CID 30877188

IUPAC2-[[1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
SMILESCc1ccc(C)c(-n2ncc3c(NCCO)ncnc32)c1
InChIInChI=1S/C15H17N5O/c1-10-3-4-11(2)13(7-10)20-15-12(8-19-20)14(16-5-6-21)17-9-18-15/h3-4,7-9,21H,5-6H2,1-2H3,(H,16,17,18)
InChIKeyPGOWDPINIRFHFI-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.84
Rot. Bonds4

About 2-[[1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol

2-[[1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol (PubChem CID 30877188) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-[[1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
PubChem CID30877188
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name2-[[1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
SMILESCc1ccc(C)c(-n2ncc3c(NCCO)ncnc32)c1
InChIInChI=1S/C15H17N5O/c1-10-3-4-11(2)13(7-10)20-15-12(8-19-20)14(16-5-6-21)17-9-18-15/h3-4,7-9,21H,5-6H2,1-2H3,(H,16,17,18)
InChIKeyPGOWDPINIRFHFI-UHFFFAOYSA-N
XLogP1.84
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dimethylphenyl)-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 51699853
4-[2-[[1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 30877189
1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 55142743
N-(2-methoxyethyl)-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 39864101
2-[2-[[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethoxy]ethanol
CID 17017577
1-(4-bromo-2-methylphenyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 104508918
[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 4737111
N,1-bis(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 3850696
1-(5-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 7205478
1-(3,4-dimethylphenyl)-3-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea
CID 15955031
N-butyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 3704584
1-(2,4-dimethylphenyl)-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 940192

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol (CID 30877188) is 2-[[1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol is Cc1ccc(C)c(-n2ncc3c(NCCO)ncnc32)c1.
What is the InChIKey of 2-[[1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol?
The InChIKey is PGOWDPINIRFHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-10-3-4-11(2)13(7-10)20-15-12(8-19-20)14(16-5-6-21)17-9-18-15/h3-4,7-9,21H,5-6H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[[1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol?
2-[[1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol has a molecular weight of 283.34 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 30877188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).