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

C15H19N3O — CID 135506181

IUPAC2-(4-ethylanilino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(Nc2ccc(CC)cc2)n1
InChIInChI=1S/C15H19N3O/c1-3-5-13-10-14(19)18-15(17-13)16-12-8-6-11(4-2)7-9-12/h6-10H,3-5H2,1-2H3,(H2,16,17,18,19)
InChIKeyBLJMSTFBQRRNHD-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.03
Rot. Bonds5

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

2-(4-ethylanilino)-4-propyl-1H-pyrimidin-6-one (PubChem CID 135506181) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(4-ethylanilino)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-ethylanilino)-4-propyl-1H-pyrimidin-6-one
PubChem CID135506181
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(4-ethylanilino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(Nc2ccc(CC)cc2)n1
InChIInChI=1S/C15H19N3O/c1-3-5-13-10-14(19)18-15(17-13)16-12-8-6-11(4-2)7-9-12/h6-10H,3-5H2,1-2H3,(H2,16,17,18,19)
InChIKeyBLJMSTFBQRRNHD-UHFFFAOYSA-N
XLogP3.03
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-ethylanilino)-4-propyl-1H-pyrimidin-6-one (CID 135506181) is 2-(4-ethylanilino)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-ethylanilino)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-ethylanilino)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(Nc2ccc(CC)cc2)n1.
What is the InChIKey of 2-(4-ethylanilino)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is BLJMSTFBQRRNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-5-13-10-14(19)18-15(17-13)16-12-8-6-11(4-2)7-9-12/h6-10H,3-5H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-(4-ethylanilino)-4-propyl-1H-pyrimidin-6-one?
2-(4-ethylanilino)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 257.34 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylanilino)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135506181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).