2-ethyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine

C12H17N5O — CID 80941475

IUPAC2-ethyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine
SMILESCCc1nc(N)cc(Oc2c(C)nn(C)c2C)n1
InChIInChI=1S/C12H17N5O/c1-5-10-14-9(13)6-11(15-10)18-12-7(2)16-17(4)8(12)3/h6H,5H2,1-4H3,(H2,13,14,15)
InChIKeyYUHXHCRGLNMLFS-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.76
Rot. Bonds3

About 2-ethyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine

2-ethyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine (PubChem CID 80941475) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-ethyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine
PubChem CID80941475
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-ethyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine
SMILESCCc1nc(N)cc(Oc2c(C)nn(C)c2C)n1
InChIInChI=1S/C12H17N5O/c1-5-10-14-9(13)6-11(15-10)18-12-7(2)16-17(4)8(12)3/h6H,5H2,1-4H3,(H2,13,14,15)
InChIKeyYUHXHCRGLNMLFS-UHFFFAOYSA-N
XLogP1.76
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine (CID 80941475) is 2-ethyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine is CCc1nc(N)cc(Oc2c(C)nn(C)c2C)n1.
What is the InChIKey of 2-ethyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine?
The InChIKey is YUHXHCRGLNMLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-5-10-14-9(13)6-11(15-10)18-12-7(2)16-17(4)8(12)3/h6H,5H2,1-4H3,(H2,13,14,15).
What are the key properties of 2-ethyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine?
2-ethyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine has a molecular weight of 247.30 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine is sourced from PubChem (CID 80941475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).