1-methyl-N-(4-phenylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C18H15N5 — CID 648862

IUPAC1-methyl-N-(4-phenylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(Nc3ccc(-c4ccccc4)cc3)ncnc21
InChIInChI=1S/C18H15N5/c1-23-18-16(11-21-23)17(19-12-20-18)22-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12H,1H3,(H,19,20,22)
InChIKeyYSRVELYBIYJWRF-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.77
Rot. Bonds3

About 1-methyl-N-(4-phenylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-(4-phenylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 648862) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-methyl-N-(4-phenylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(4-phenylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID648862
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC Name1-methyl-N-(4-phenylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(Nc3ccc(-c4ccccc4)cc3)ncnc21
InChIInChI=1S/C18H15N5/c1-23-18-16(11-21-23)17(19-12-20-18)22-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12H,1H3,(H,19,20,22)
InChIKeyYSRVELYBIYJWRF-UHFFFAOYSA-N
XLogP3.77
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-phenylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-(4-phenylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 648862) is 1-methyl-N-(4-phenylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-(4-phenylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-(4-phenylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(Nc3ccc(-c4ccccc4)cc3)ncnc21.
What is the InChIKey of 1-methyl-N-(4-phenylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is YSRVELYBIYJWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5/c1-23-18-16(11-21-23)17(19-12-20-18)22-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12H,1H3,(H,19,20,22).
What are the key properties of 1-methyl-N-(4-phenylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-(4-phenylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 301.35 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-phenylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 648862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).