6-(2,6-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxypyrimidin-4-amine

C26H23N5O — CID 20604139

IUPAC6-(2,6-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxypyrimidin-4-amine
SMILESCc1cc(Nc2cc(-c3c(C)cccc3C)nc(Oc3ccc4ccccc4c3)n2)n[nH]1
InChIInChI=1S/C26H23N5O/c1-16-7-6-8-17(2)25(16)22-15-23(28-24-13-18(3)30-31-24)29-26(27-22)32-21-12-11-19-9-4-5-10-20(19)14-21/h4-15H,1-3H3,(H2,27,28,29,30,31)
InChIKeyANOZYVAYZDMRNX-UHFFFAOYSA-N
MW421.50 g/mol
LogP6.48
Rot. Bonds5

About 6-(2,6-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxypyrimidin-4-amine

6-(2,6-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxypyrimidin-4-amine (PubChem CID 20604139) has the molecular formula C26H23N5O and a molecular weight of 421.50 g/mol. Its IUPAC name is 6-(2,6-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxypyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,6-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxypyrimidin-4-amine
PubChem CID20604139
Molecular FormulaC26H23N5O
Molecular Weight421.50 g/mol
Exact Mass421.19
IUPAC Name6-(2,6-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxypyrimidin-4-amine
SMILESCc1cc(Nc2cc(-c3c(C)cccc3C)nc(Oc3ccc4ccccc4c3)n2)n[nH]1
InChIInChI=1S/C26H23N5O/c1-16-7-6-8-17(2)25(16)22-15-23(28-24-13-18(3)30-31-24)29-26(27-22)32-21-12-11-19-9-4-5-10-20(19)14-21/h4-15H,1-3H3,(H2,27,28,29,30,31)
InChIKeyANOZYVAYZDMRNX-UHFFFAOYSA-N
XLogP6.48
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxypyrimidin-4-amine?
The IUPAC name of 6-(2,6-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxypyrimidin-4-amine (CID 20604139) is 6-(2,6-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxypyrimidin-4-amine.
What is the SMILES notation for 6-(2,6-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxypyrimidin-4-amine?
The canonical SMILES for 6-(2,6-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxypyrimidin-4-amine is Cc1cc(Nc2cc(-c3c(C)cccc3C)nc(Oc3ccc4ccccc4c3)n2)n[nH]1.
What is the InChIKey of 6-(2,6-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxypyrimidin-4-amine?
The InChIKey is ANOZYVAYZDMRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O/c1-16-7-6-8-17(2)25(16)22-15-23(28-24-13-18(3)30-31-24)29-26(27-22)32-21-12-11-19-9-4-5-10-20(19)14-21/h4-15H,1-3H3,(H2,27,28,29,30,31).
What are the key properties of 6-(2,6-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxypyrimidin-4-amine?
6-(2,6-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxypyrimidin-4-amine has a molecular weight of 421.50 g/mol, XLogP of 6.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxypyrimidin-4-amine is sourced from PubChem (CID 20604139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).