1-(6-ethoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine

C11H15N5O — CID 66320353

IUPAC1-(6-ethoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine
SMILESCCOc1cc(-n2nc(C)c(N)c2C)ncn1
InChIInChI=1S/C11H15N5O/c1-4-17-10-5-9(13-6-14-10)16-8(3)11(12)7(2)15-16/h5-6H,4,12H2,1-3H3
InChIKeyFYYBXHTTZNNGEX-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.26
Rot. Bonds3

About 1-(6-ethoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine

1-(6-ethoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine (PubChem CID 66320353) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(6-ethoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name1-(6-ethoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine
PubChem CID66320353
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name1-(6-ethoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine
SMILESCCOc1cc(-n2nc(C)c(N)c2C)ncn1
InChIInChI=1S/C11H15N5O/c1-4-17-10-5-9(13-6-14-10)16-8(3)11(12)7(2)15-16/h5-6H,4,12H2,1-3H3
InChIKeyFYYBXHTTZNNGEX-UHFFFAOYSA-N
XLogP1.26
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine?
The IUPAC name of 1-(6-ethoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine (CID 66320353) is 1-(6-ethoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine.
What is the SMILES notation for 1-(6-ethoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine?
The canonical SMILES for 1-(6-ethoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine is CCOc1cc(-n2nc(C)c(N)c2C)ncn1.
What is the InChIKey of 1-(6-ethoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine?
The InChIKey is FYYBXHTTZNNGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-4-17-10-5-9(13-6-14-10)16-8(3)11(12)7(2)15-16/h5-6H,4,12H2,1-3H3.
What are the key properties of 1-(6-ethoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine?
1-(6-ethoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine has a molecular weight of 233.27 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 66320353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).