3-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidine

C12H10N4 — CID 141418735

IUPAC3-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidine
SMILESCc1[nH]nc2nc(-c3ccccc3)ncc12
InChIInChI=1S/C12H10N4/c1-8-10-7-13-11(14-12(10)16-15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14,15,16)
InChIKeyVKQUEQQTROPDLR-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.33
Rot. Bonds1

About 3-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidine

3-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidine (PubChem CID 141418735) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name3-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidine
PubChem CID141418735
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name3-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidine
SMILESCc1[nH]nc2nc(-c3ccccc3)ncc12
InChIInChI=1S/C12H10N4/c1-8-10-7-13-11(14-12(10)16-15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14,15,16)
InChIKeyVKQUEQQTROPDLR-UHFFFAOYSA-N
XLogP2.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-fluorophenyl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine
CID 141418727
6-phenyl-2H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile
CID 91253210
2-phenylquinazoline
CID 158733567
3,5-diphenyl-1H-pyrazolo[4,3-d]pyrimidine;ethane
CID 159273056
4-methyl-2-[4-methyl-2-[4-methyl-2-(4-methyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine
CID 58281695
7-methyl-2-phenylquinazoline
CID 102363369
2,7-diphenyl-6H-pyrido[4,3-d]pyrimidin-5-one
CID 131851212
4-(4-methyl-2-phenylpyrimidin-5-yl)-2,6-diphenylpyrimidine
CID 12537657
5-methyl-2-phenyl-4-propan-2-ylpyrimidine
CID 177268699
4-ethyl-5-methyl-2-phenylpyrimidine
CID 150383613
1-(5-methyl-1H-pyrazol-3-yl)-3-(2-phenylpyrimidin-5-yl)urea
CID 99835736
2-phenyl-8H-pyrimido[4,5-d]pyrimidine-5-thione
CID 54594145

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 3-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidine (CID 141418735) is 3-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 3-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 3-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidine is Cc1[nH]nc2nc(-c3ccccc3)ncc12.
What is the InChIKey of 3-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is VKQUEQQTROPDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c1-8-10-7-13-11(14-12(10)16-15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14,15,16).
What are the key properties of 3-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidine?
3-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 210.24 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 141418735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).