2-(4-ethoxyanilino)-4-propyl-1H-pyrimidin-6-one

C15H19N3O2 — CID 135546686

IUPAC2-(4-ethoxyanilino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(Nc2ccc(OCC)cc2)n1
InChIInChI=1S/C15H19N3O2/c1-3-5-12-10-14(19)18-15(17-12)16-11-6-8-13(9-7-11)20-4-2/h6-10H,3-5H2,1-2H3,(H2,16,17,18,19)
InChIKeySUAIFWXAPIUEEL-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.86
Rot. Bonds6

About 2-(4-ethoxyanilino)-4-propyl-1H-pyrimidin-6-one

2-(4-ethoxyanilino)-4-propyl-1H-pyrimidin-6-one (PubChem CID 135546686) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-4-propyl-1H-pyrimidin-6-one
PubChem CID135546686
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(4-ethoxyanilino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(Nc2ccc(OCC)cc2)n1
InChIInChI=1S/C15H19N3O2/c1-3-5-12-10-14(19)18-15(17-12)16-11-6-8-13(9-7-11)20-4-2/h6-10H,3-5H2,1-2H3,(H2,16,17,18,19)
InChIKeySUAIFWXAPIUEEL-UHFFFAOYSA-N
XLogP2.86
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-ethoxyanilino)-4-propyl-1H-pyrimidin-6-one (CID 135546686) is 2-(4-ethoxyanilino)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-ethoxyanilino)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-ethoxyanilino)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(Nc2ccc(OCC)cc2)n1.
What is the InChIKey of 2-(4-ethoxyanilino)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is SUAIFWXAPIUEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-5-12-10-14(19)18-15(17-12)16-11-6-8-13(9-7-11)20-4-2/h6-10H,3-5H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-(4-ethoxyanilino)-4-propyl-1H-pyrimidin-6-one?
2-(4-ethoxyanilino)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 273.34 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135546686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).