4-(2-methoxy-4-methylphenoxy)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine

C20H18N4O2 — CID 8539459

IUPAC4-(2-methoxy-4-methylphenoxy)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine
SMILESCOc1cc(C)ccc1Oc1ncnc2c1cnn2-c1cccc(C)c1
InChIInChI=1S/C20H18N4O2/c1-13-5-4-6-15(9-13)24-19-16(11-23-24)20(22-12-21-19)26-17-8-7-14(2)10-18(17)25-3/h4-12H,1-3H3
InChIKeyJWPILTMWDRKESP-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.23
Rot. Bonds4

About 4-(2-methoxy-4-methylphenoxy)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine

4-(2-methoxy-4-methylphenoxy)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 8539459) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-(2-methoxy-4-methylphenoxy)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(2-methoxy-4-methylphenoxy)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine
PubChem CID8539459
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name4-(2-methoxy-4-methylphenoxy)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine
SMILESCOc1cc(C)ccc1Oc1ncnc2c1cnn2-c1cccc(C)c1
InChIInChI=1S/C20H18N4O2/c1-13-5-4-6-15(9-13)24-19-16(11-23-24)20(22-12-21-19)26-17-8-7-14(2)10-18(17)25-3/h4-12H,1-3H3
InChIKeyJWPILTMWDRKESP-UHFFFAOYSA-N
XLogP4.23
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-methoxyphenyl]ethanone
CID 7205666
3,4-dimethoxy-N'-[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzohydrazide
CID 17017462
6-[1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-1,3-benzoxathiol-2-one
CID 8539502
4-(4-methylphenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 8539532
1-(3-fluorophenyl)-N-(2-methoxy-5-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110434966
N-butyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 3704584
4-(4-fluorophenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 8539514
1-(3-chlorophenyl)-4-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 108784414
N-cyclohexyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866420
N,N-dibenzyl-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 5189840
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide
CID 4826927
1-(4-methoxyphenyl)-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 661214

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4-methylphenoxy)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(2-methoxy-4-methylphenoxy)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine (CID 8539459) is 4-(2-methoxy-4-methylphenoxy)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(2-methoxy-4-methylphenoxy)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(2-methoxy-4-methylphenoxy)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine is COc1cc(C)ccc1Oc1ncnc2c1cnn2-c1cccc(C)c1.
What is the InChIKey of 4-(2-methoxy-4-methylphenoxy)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is JWPILTMWDRKESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-5-4-6-15(9-13)24-19-16(11-23-24)20(22-12-21-19)26-17-8-7-14(2)10-18(17)25-3/h4-12H,1-3H3.
What are the key properties of 4-(2-methoxy-4-methylphenoxy)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine?
4-(2-methoxy-4-methylphenoxy)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 346.39 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4-methylphenoxy)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 8539459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).