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

C15H16N4O2 — CID 121494736

IUPAC4-(3,4-dimethoxyphenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidine
SMILESCOc1ccc(-c2nc(C)nc3c2cnn3C)cc1OC
InChIInChI=1S/C15H16N4O2/c1-9-17-14(11-8-16-19(2)15(11)18-9)10-5-6-12(20-3)13(7-10)21-4/h5-8H,1-4H3
InChIKeyQRVLSWLQSMWGDV-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.36
Rot. Bonds3

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

4-(3,4-dimethoxyphenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidine (PubChem CID 121494736) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidine
PubChem CID121494736
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name4-(3,4-dimethoxyphenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidine
SMILESCOc1ccc(-c2nc(C)nc3c2cnn3C)cc1OC
InChIInChI=1S/C15H16N4O2/c1-9-17-14(11-8-16-19(2)15(11)18-9)10-5-6-12(20-3)13(7-10)21-4/h5-8H,1-4H3
InChIKeyQRVLSWLQSMWGDV-UHFFFAOYSA-N
XLogP2.36
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,5,10,11,16,17-hexakis(3,4-dimethoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 101071642
2-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 56816073
3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrazin-2-amine
CID 142945202
6-chloro-N-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 27368996
10-methyl-5-(3,4,5-trimethoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 942892
4-[(3,4-dimethoxyphenyl)methyl]-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 23605256
N-[(4-methoxyphenyl)methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 165433761
3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 141199628
3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-4-phenylisoquinoline
CID 11418585
2-[[6-(3,4-dimethoxyanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
CID 7162561
5-(5-bromo-6-methoxynaphthalen-2-yl)-3-(3,4-dimethoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine
CID 3723315
6-(3,4-dimethoxyphenyl)-1H-pyrazin-2-one
CID 106514360

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidine (CID 121494736) is 4-(3,4-dimethoxyphenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidine is COc1ccc(-c2nc(C)nc3c2cnn3C)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidine?
The InChIKey is QRVLSWLQSMWGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9-17-14(11-8-16-19(2)15(11)18-9)10-5-6-12(20-3)13(7-10)21-4/h5-8H,1-4H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidine?
4-(3,4-dimethoxyphenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidine has a molecular weight of 284.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-1,6-dimethylpyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 121494736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).