4-(4-ethoxypyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine

C11H15N5O — CID 114274053

IUPAC4-(4-ethoxypyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine
SMILESCCOc1cnn(-c2nc(NC)ncc2C)c1
InChIInChI=1S/C11H15N5O/c1-4-17-9-6-14-16(7-9)10-8(2)5-13-11(12-3)15-10/h5-7H,4H2,1-3H3,(H,12,13,15)
InChIKeySILLRYWLWMJGBZ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.41
Rot. Bonds4

About 4-(4-ethoxypyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine

4-(4-ethoxypyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine (PubChem CID 114274053) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(4-ethoxypyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-ethoxypyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine
PubChem CID114274053
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name4-(4-ethoxypyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine
SMILESCCOc1cnn(-c2nc(NC)ncc2C)c1
InChIInChI=1S/C11H15N5O/c1-4-17-9-6-14-16(7-9)10-8(2)5-13-11(12-3)15-10/h5-7H,4H2,1-3H3,(H,12,13,15)
InChIKeySILLRYWLWMJGBZ-UHFFFAOYSA-N
XLogP1.41
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxypyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(4-ethoxypyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine (CID 114274053) is 4-(4-ethoxypyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-ethoxypyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(4-ethoxypyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine is CCOc1cnn(-c2nc(NC)ncc2C)c1.
What is the InChIKey of 4-(4-ethoxypyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine?
The InChIKey is SILLRYWLWMJGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-4-17-9-6-14-16(7-9)10-8(2)5-13-11(12-3)15-10/h5-7H,4H2,1-3H3,(H,12,13,15).
What are the key properties of 4-(4-ethoxypyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine?
4-(4-ethoxypyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine has a molecular weight of 233.27 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxypyrazol-1-yl)-N,5-dimethylpyrimidin-2-amine is sourced from PubChem (CID 114274053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).