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

C17H21N5O2 — CID 86774130

IUPAC2-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol
SMILESCc1cccc(OCCN(C)c2ncnc3c2cnn3CCO)c1
InChIInChI=1S/C17H21N5O2/c1-13-4-3-5-14(10-13)24-9-7-21(2)16-15-11-20-22(6-8-23)17(15)19-12-18-16/h3-5,10-12,23H,6-9H2,1-2H3
InChIKeyUEUBDBQHGPSAFZ-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.64
Rot. Bonds7

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

2-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol (PubChem CID 86774130) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol
PubChem CID86774130
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name2-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol
SMILESCc1cccc(OCCN(C)c2ncnc3c2cnn3CCO)c1
InChIInChI=1S/C17H21N5O2/c1-13-4-3-5-14(10-13)24-9-7-21(2)16-15-11-20-22(6-8-23)17(15)19-12-18-16/h3-5,10-12,23H,6-9H2,1-2H3
InChIKeyUEUBDBQHGPSAFZ-UHFFFAOYSA-N
XLogP1.64
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N,1-dimethyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine
CID 26019686
2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol
CID 86774097
2-[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol
CID 86774139
1-methyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 17453140
N,4,6-trimethyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine
CID 78845383
N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 133489848
4,6-dimethyl-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyridine-3-carbonitrile
CID 26448932
2-[2-(3-methylphenoxy)ethyl-propan-2-ylamino]ethanol
CID 60691972
2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]ethanol
CID 60669962
N,6-dimethyl-N-(3-phenoxypropyl)quinazolin-4-amine
CID 112843843
N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-nitropyridin-2-amine
CID 26448919
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol?
The IUPAC name of 2-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol (CID 86774130) is 2-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol is Cc1cccc(OCCN(C)c2ncnc3c2cnn3CCO)c1.
What is the InChIKey of 2-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol?
The InChIKey is UEUBDBQHGPSAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-13-4-3-5-14(10-13)24-9-7-21(2)16-15-11-20-22(6-8-23)17(15)19-12-18-16/h3-5,10-12,23H,6-9H2,1-2H3.
What are the key properties of 2-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol?
2-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol has a molecular weight of 327.39 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol is sourced from PubChem (CID 86774130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).