6-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)pyrimidin-4-amine

C17H19N5O — CID 50830722

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)pyrimidin-4-amine
SMILESCCOc1ccc(Nc2cc(-n3nc(C)cc3C)ncn2)cc1
InChIInChI=1S/C17H19N5O/c1-4-23-15-7-5-14(6-8-15)20-16-10-17(19-11-18-16)22-13(3)9-12(2)21-22/h5-11H,4H2,1-3H3,(H,18,19,20)
InChIKeyWAAAFTOQOZVVIH-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.42
Rot. Bonds5

About 6-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)pyrimidin-4-amine

6-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)pyrimidin-4-amine (PubChem CID 50830722) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)pyrimidin-4-amine
PubChem CID50830722
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)pyrimidin-4-amine
SMILESCCOc1ccc(Nc2cc(-n3nc(C)cc3C)ncn2)cc1
InChIInChI=1S/C17H19N5O/c1-4-23-15-7-5-14(6-8-15)20-16-10-17(19-11-18-16)22-13(3)9-12(2)21-22/h5-11H,4H2,1-3H3,(H,18,19,20)
InChIKeyWAAAFTOQOZVVIH-UHFFFAOYSA-N
XLogP3.42
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)pyrimidin-4-amine (CID 50830722) is 6-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)pyrimidin-4-amine is CCOc1ccc(Nc2cc(-n3nc(C)cc3C)ncn2)cc1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)pyrimidin-4-amine?
The InChIKey is WAAAFTOQOZVVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-4-23-15-7-5-14(6-8-15)20-16-10-17(19-11-18-16)22-13(3)9-12(2)21-22/h5-11H,4H2,1-3H3,(H,18,19,20).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)pyrimidin-4-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)pyrimidin-4-amine has a molecular weight of 309.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 50830722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).