2-(4-ethoxy-2-ethylpyrimidin-5-yl)propan-1-amine

C11H19N3O — CID 83884599

IUPAC2-(4-ethoxy-2-ethylpyrimidin-5-yl)propan-1-amine
SMILESCCOc1nc(CC)ncc1C(C)CN
InChIInChI=1S/C11H19N3O/c1-4-10-13-7-9(8(3)6-12)11(14-10)15-5-2/h7-8H,4-6,12H2,1-3H3
InChIKeyFOPBSODPRFPMLN-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.50
Rot. Bonds5

About 2-(4-ethoxy-2-ethylpyrimidin-5-yl)propan-1-amine

2-(4-ethoxy-2-ethylpyrimidin-5-yl)propan-1-amine (PubChem CID 83884599) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(4-ethoxy-2-ethylpyrimidin-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-(4-ethoxy-2-ethylpyrimidin-5-yl)propan-1-amine
PubChem CID83884599
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(4-ethoxy-2-ethylpyrimidin-5-yl)propan-1-amine
SMILESCCOc1nc(CC)ncc1C(C)CN
InChIInChI=1S/C11H19N3O/c1-4-10-13-7-9(8(3)6-12)11(14-10)15-5-2/h7-8H,4-6,12H2,1-3H3
InChIKeyFOPBSODPRFPMLN-UHFFFAOYSA-N
XLogP1.50
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2-ethylpyrimidin-5-yl)propan-1-amine?
The IUPAC name of 2-(4-ethoxy-2-ethylpyrimidin-5-yl)propan-1-amine (CID 83884599) is 2-(4-ethoxy-2-ethylpyrimidin-5-yl)propan-1-amine.
What is the SMILES notation for 2-(4-ethoxy-2-ethylpyrimidin-5-yl)propan-1-amine?
The canonical SMILES for 2-(4-ethoxy-2-ethylpyrimidin-5-yl)propan-1-amine is CCOc1nc(CC)ncc1C(C)CN.
What is the InChIKey of 2-(4-ethoxy-2-ethylpyrimidin-5-yl)propan-1-amine?
The InChIKey is FOPBSODPRFPMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-10-13-7-9(8(3)6-12)11(14-10)15-5-2/h7-8H,4-6,12H2,1-3H3.
What are the key properties of 2-(4-ethoxy-2-ethylpyrimidin-5-yl)propan-1-amine?
2-(4-ethoxy-2-ethylpyrimidin-5-yl)propan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2-ethylpyrimidin-5-yl)propan-1-amine is sourced from PubChem (CID 83884599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).