4-(3-methoxyphenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidine

C14H14N4O — CID 119065016

IUPAC4-(3-methoxyphenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidine
SMILESCOc1cccc(-c2nc(C)nc3c2cnn3C)c1
InChIInChI=1S/C14H14N4O/c1-9-16-13(10-5-4-6-11(7-10)19-3)12-8-15-18(2)14(12)17-9/h4-8H,1-3H3
InChIKeyMXHAQVDRDCOZGU-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.35
Rot. Bonds2

About 4-(3-methoxyphenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidine

4-(3-methoxyphenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidine (PubChem CID 119065016) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidine
PubChem CID119065016
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name4-(3-methoxyphenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidine
SMILESCOc1cccc(-c2nc(C)nc3c2cnn3C)c1
InChIInChI=1S/C14H14N4O/c1-9-16-13(10-5-4-6-11(7-10)19-3)12-8-15-18(2)14(12)17-9/h4-8H,1-3H3
InChIKeyMXHAQVDRDCOZGU-UHFFFAOYSA-N
XLogP2.35
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4-(3-methoxyphenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidine (CID 119065016) is 4-(3-methoxyphenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-(3-methoxyphenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4-(3-methoxyphenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidine is COc1cccc(-c2nc(C)nc3c2cnn3C)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidine?
The InChIKey is MXHAQVDRDCOZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9-16-13(10-5-4-6-11(7-10)19-3)12-8-15-18(2)14(12)17-9/h4-8H,1-3H3.
What are the key properties of 4-(3-methoxyphenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidine?
4-(3-methoxyphenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidine has a molecular weight of 254.29 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 119065016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).