4-(3-methoxyphenoxy)-1-methylpyrazolo[5,4-d]pyrimidine

C13H12N4O2 — CID 154460653

IUPAC4-(3-methoxyphenoxy)-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCOc1cccc(Oc2ncnc3c2cnn3C)c1
InChIInChI=1S/C13H12N4O2/c1-17-12-11(7-16-17)13(15-8-14-12)19-10-5-3-4-9(6-10)18-2/h3-8H,1-2H3
InChIKeyOOTWVDXNUIKHSO-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.16
Rot. Bonds3

About 4-(3-methoxyphenoxy)-1-methylpyrazolo[5,4-d]pyrimidine

4-(3-methoxyphenoxy)-1-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 154460653) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-(3-methoxyphenoxy)-1-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(3-methoxyphenoxy)-1-methylpyrazolo[5,4-d]pyrimidine
PubChem CID154460653
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name4-(3-methoxyphenoxy)-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCOc1cccc(Oc2ncnc3c2cnn3C)c1
InChIInChI=1S/C13H12N4O2/c1-17-12-11(7-16-17)13(15-8-14-12)19-10-5-3-4-9(6-10)18-2/h3-8H,1-2H3
InChIKeyOOTWVDXNUIKHSO-UHFFFAOYSA-N
XLogP2.16
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(7-methoxynaphthalen-2-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine
CID 25315634
[3-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]methanol
CID 79868827
1-(3-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]urea
CID 71575214
7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-2-(trifluoromethyl)quinoline
CID 48932196
4-(4-chloronaphthalen-1-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine
CID 25315286
5-iodo-4-(3-methoxyphenoxy)pyrimidine
CID 66320020
methyl 3-bromo-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzoate
CID 25494302
2-[ethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-N-(3-methoxyphenyl)acetamide
CID 86915928
2-(3-methoxyphenyl)-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 16589661
5-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-amine
CID 80863933
6-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 167882783
3-[4-(3-methoxyphenoxy)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]aniline
CID 46855835

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenoxy)-1-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(3-methoxyphenoxy)-1-methylpyrazolo[5,4-d]pyrimidine (CID 154460653) is 4-(3-methoxyphenoxy)-1-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(3-methoxyphenoxy)-1-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(3-methoxyphenoxy)-1-methylpyrazolo[5,4-d]pyrimidine is COc1cccc(Oc2ncnc3c2cnn3C)c1.
What is the InChIKey of 4-(3-methoxyphenoxy)-1-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is OOTWVDXNUIKHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-17-12-11(7-16-17)13(15-8-14-12)19-10-5-3-4-9(6-10)18-2/h3-8H,1-2H3.
What are the key properties of 4-(3-methoxyphenoxy)-1-methylpyrazolo[5,4-d]pyrimidine?
4-(3-methoxyphenoxy)-1-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 256.26 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenoxy)-1-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 154460653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).