3-ethoxy-4-methyl-6-phenyl-1H-pyrazolo[3,4-d]pyrimidine

C14H14N4O — CID 76847028

IUPAC3-ethoxy-4-methyl-6-phenyl-1H-pyrazolo[3,4-d]pyrimidine
SMILESCCOc1n[nH]c2nc(-c3ccccc3)nc(C)c12
InChIInChI=1S/C14H14N4O/c1-3-19-14-11-9(2)15-12(16-13(11)17-18-14)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,15,16,17,18)
InChIKeyJTRPORCMGIPWJP-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.73
Rot. Bonds3

About 3-ethoxy-4-methyl-6-phenyl-1H-pyrazolo[3,4-d]pyrimidine

3-ethoxy-4-methyl-6-phenyl-1H-pyrazolo[3,4-d]pyrimidine (PubChem CID 76847028) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-ethoxy-4-methyl-6-phenyl-1H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name3-ethoxy-4-methyl-6-phenyl-1H-pyrazolo[3,4-d]pyrimidine
PubChem CID76847028
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name3-ethoxy-4-methyl-6-phenyl-1H-pyrazolo[3,4-d]pyrimidine
SMILESCCOc1n[nH]c2nc(-c3ccccc3)nc(C)c12
InChIInChI=1S/C14H14N4O/c1-3-19-14-11-9(2)15-12(16-13(11)17-18-14)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,15,16,17,18)
InChIKeyJTRPORCMGIPWJP-UHFFFAOYSA-N
XLogP2.73
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-5-methyl-2,6-diphenylpyrimidine
CID 10946202
4,5,6-trimethyl-2-phenylpyrimidine
CID 21336303
ethyl 2-(5-bromo-6-methyl-2-phenylpyrimidin-4-yl)oxyacetate
CID 170790136
5-ethoxy-3-phenyl-1H-pyrazolo[4,3-b]pyridine-6-carbonitrile
CID 76847130
4-ethoxy-2-phenyl-5,6-dihydrofuro[2,3-d]pyrimidine
CID 24827747
2-N,4-N-bis(ethoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine
CID 5070075
6-ethoxy-2-phenylpyrimidin-4-amine
CID 14242675
4-butyl-5,6-dimethyl-2-phenylpyrimidine
CID 138967628
ethyl 4-benzamido-6-methyl-2-phenylpyrimidine-5-carboxylate
CID 1035315
[2-(3-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 62746307
ethyl 2-(2-phenylquinazolin-4-yl)oxyacetate
CID 741296
N-(4-ethoxyphenyl)-2-phenylquinazolin-4-amine
CID 2459759

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methyl-6-phenyl-1H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 3-ethoxy-4-methyl-6-phenyl-1H-pyrazolo[3,4-d]pyrimidine (CID 76847028) is 3-ethoxy-4-methyl-6-phenyl-1H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 3-ethoxy-4-methyl-6-phenyl-1H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 3-ethoxy-4-methyl-6-phenyl-1H-pyrazolo[3,4-d]pyrimidine is CCOc1n[nH]c2nc(-c3ccccc3)nc(C)c12.
What is the InChIKey of 3-ethoxy-4-methyl-6-phenyl-1H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is JTRPORCMGIPWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-3-19-14-11-9(2)15-12(16-13(11)17-18-14)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,15,16,17,18).
What are the key properties of 3-ethoxy-4-methyl-6-phenyl-1H-pyrazolo[3,4-d]pyrimidine?
3-ethoxy-4-methyl-6-phenyl-1H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 254.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methyl-6-phenyl-1H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 76847028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).