3-[2-[2-(2-aminoethoxy)phenyl]propan-2-ylamino]-1H-pyrazin-2-one

C15H20N4O2 — CID 141324224

IUPAC3-[2-[2-(2-aminoethoxy)phenyl]propan-2-ylamino]-1H-pyrazin-2-one
SMILESCC(C)(Nc1ncc[nH]c1=O)c1ccccc1OCCN
InChIInChI=1S/C15H20N4O2/c1-15(2,19-13-14(20)18-9-8-17-13)11-5-3-4-6-12(11)21-10-7-16/h3-6,8-9H,7,10,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyXYIXJWVMZNPAKH-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.45
Rot. Bonds6

About 3-[2-[2-(2-aminoethoxy)phenyl]propan-2-ylamino]-1H-pyrazin-2-one

3-[2-[2-(2-aminoethoxy)phenyl]propan-2-ylamino]-1H-pyrazin-2-one (PubChem CID 141324224) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[2-[2-(2-aminoethoxy)phenyl]propan-2-ylamino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[2-[2-(2-aminoethoxy)phenyl]propan-2-ylamino]-1H-pyrazin-2-one
PubChem CID141324224
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-[2-[2-(2-aminoethoxy)phenyl]propan-2-ylamino]-1H-pyrazin-2-one
SMILESCC(C)(Nc1ncc[nH]c1=O)c1ccccc1OCCN
InChIInChI=1S/C15H20N4O2/c1-15(2,19-13-14(20)18-9-8-17-13)11-5-3-4-6-12(11)21-10-7-16/h3-6,8-9H,7,10,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyXYIXJWVMZNPAKH-UHFFFAOYSA-N
XLogP1.45
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-aminoethoxy)phenyl]propan-2-ylamino]-1H-pyrazin-2-one?
The IUPAC name of 3-[2-[2-(2-aminoethoxy)phenyl]propan-2-ylamino]-1H-pyrazin-2-one (CID 141324224) is 3-[2-[2-(2-aminoethoxy)phenyl]propan-2-ylamino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[2-[2-(2-aminoethoxy)phenyl]propan-2-ylamino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[2-[2-(2-aminoethoxy)phenyl]propan-2-ylamino]-1H-pyrazin-2-one is CC(C)(Nc1ncc[nH]c1=O)c1ccccc1OCCN.
What is the InChIKey of 3-[2-[2-(2-aminoethoxy)phenyl]propan-2-ylamino]-1H-pyrazin-2-one?
The InChIKey is XYIXJWVMZNPAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-15(2,19-13-14(20)18-9-8-17-13)11-5-3-4-6-12(11)21-10-7-16/h3-6,8-9H,7,10,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 3-[2-[2-(2-aminoethoxy)phenyl]propan-2-ylamino]-1H-pyrazin-2-one?
3-[2-[2-(2-aminoethoxy)phenyl]propan-2-ylamino]-1H-pyrazin-2-one has a molecular weight of 288.35 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-aminoethoxy)phenyl]propan-2-ylamino]-1H-pyrazin-2-one is sourced from PubChem (CID 141324224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).