2-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)-6-methylpyrimidin-4-amine

C18H21N5O — CID 658308

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)-6-methylpyrimidin-4-amine
SMILESCCOc1ccc(Nc2cc(C)nc(-n3nc(C)cc3C)n2)cc1
InChIInChI=1S/C18H21N5O/c1-5-24-16-8-6-15(7-9-16)20-17-11-12(2)19-18(21-17)23-14(4)10-13(3)22-23/h6-11H,5H2,1-4H3,(H,19,20,21)
InChIKeyXKJYQGQMUPMJPB-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.73
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)-6-methylpyrimidin-4-amine

2-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)-6-methylpyrimidin-4-amine (PubChem CID 658308) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)-6-methylpyrimidin-4-amine
PubChem CID658308
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)-6-methylpyrimidin-4-amine
SMILESCCOc1ccc(Nc2cc(C)nc(-n3nc(C)cc3C)n2)cc1
InChIInChI=1S/C18H21N5O/c1-5-24-16-8-6-15(7-9-16)20-17-11-12(2)19-18(21-17)23-14(4)10-13(3)22-23/h6-11H,5H2,1-4H3,(H,19,20,21)
InChIKeyXKJYQGQMUPMJPB-UHFFFAOYSA-N
XLogP3.73
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)-6-methylpyrimidin-4-amine (CID 658308) is 2-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)-6-methylpyrimidin-4-amine is CCOc1ccc(Nc2cc(C)nc(-n3nc(C)cc3C)n2)cc1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)-6-methylpyrimidin-4-amine?
The InChIKey is XKJYQGQMUPMJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-5-24-16-8-6-15(7-9-16)20-17-11-12(2)19-18(21-17)23-14(4)10-13(3)22-23/h6-11H,5H2,1-4H3,(H,19,20,21).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)-6-methylpyrimidin-4-amine?
2-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)-6-methylpyrimidin-4-amine has a molecular weight of 323.40 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 658308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).