6-methyl-1,4-diphenylpyrazolo[3,4-d]pyrimidin-3-amine

C18H15N5 — CID 110171361

IUPAC6-methyl-1,4-diphenylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESCc1nc(-c2ccccc2)c2c(N)nn(-c3ccccc3)c2n1
InChIInChI=1S/C18H15N5/c1-12-20-16(13-8-4-2-5-9-13)15-17(19)22-23(18(15)21-12)14-10-6-3-7-11-14/h2-11H,1H3,(H2,19,22)
InChIKeyPUXYOTUJSIDOOJ-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.37
Rot. Bonds2

About 6-methyl-1,4-diphenylpyrazolo[3,4-d]pyrimidin-3-amine

6-methyl-1,4-diphenylpyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 110171361) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is 6-methyl-1,4-diphenylpyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name6-methyl-1,4-diphenylpyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID110171361
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC Name6-methyl-1,4-diphenylpyrazolo[3,4-d]pyrimidin-3-amine
SMILESCc1nc(-c2ccccc2)c2c(N)nn(-c3ccccc3)c2n1
InChIInChI=1S/C18H15N5/c1-12-20-16(13-8-4-2-5-9-13)15-17(19)22-23(18(15)21-12)14-10-6-3-7-11-14/h2-11H,1H3,(H2,19,22)
InChIKeyPUXYOTUJSIDOOJ-UHFFFAOYSA-N
XLogP3.37
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(3,6-dimethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 42671783
5-chloro-4,6-dimethyl-1,3-diphenylpyrazolo[3,4-b]pyridine
CID 1480891
4-methyl-1,3-diphenylpyrazol-5-amine
CID 43336769
3-ethyl-6-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 57350722
5-methyl-1,3,4-triphenylpyrazole
CID 1202580
4,5-dimethyl-1,3-diphenylpyrazole
CID 13258584
3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine
CID 14067721
5-methyl-1,3-diphenylpyrazolo[4,3-d]pyrimidine
CID 57380816
[4-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]thiourea
CID 10862088
3-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 57350625
4-ethyl-3-(4-methylphenyl)-1-phenylpyrazol-5-amine
CID 43670879
4-amino-6-phenyl-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one
CID 22401674

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,4-diphenylpyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 6-methyl-1,4-diphenylpyrazolo[3,4-d]pyrimidin-3-amine (CID 110171361) is 6-methyl-1,4-diphenylpyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 6-methyl-1,4-diphenylpyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 6-methyl-1,4-diphenylpyrazolo[3,4-d]pyrimidin-3-amine is Cc1nc(-c2ccccc2)c2c(N)nn(-c3ccccc3)c2n1.
What is the InChIKey of 6-methyl-1,4-diphenylpyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is PUXYOTUJSIDOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5/c1-12-20-16(13-8-4-2-5-9-13)15-17(19)22-23(18(15)21-12)14-10-6-3-7-11-14/h2-11H,1H3,(H2,19,22).
What are the key properties of 6-methyl-1,4-diphenylpyrazolo[3,4-d]pyrimidin-3-amine?
6-methyl-1,4-diphenylpyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 301.35 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,4-diphenylpyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 110171361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).