2-(4-ethylphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one

C15H18N2O2 — CID 55216244

IUPAC2-(4-ethylphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(-c2ccc(CC)cc2)[nH]c1=O
InChIInChI=1S/C15H18N2O2/c1-3-5-12-14(18)16-13(17-15(12)19)11-8-6-10(4-2)7-9-11/h6-9H,3-5H2,1-2H3,(H2,16,17,18,19)
InChIKeyHJLOKOARXNTCRX-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.66
Rot. Bonds4

About 2-(4-ethylphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one

2-(4-ethylphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (PubChem CID 55216244) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-ethylphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
PubChem CID55216244
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(4-ethylphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(-c2ccc(CC)cc2)[nH]c1=O
InChIInChI=1S/C15H18N2O2/c1-3-5-12-14(18)16-13(17-15(12)19)11-8-6-10(4-2)7-9-11/h6-9H,3-5H2,1-2H3,(H2,16,17,18,19)
InChIKeyHJLOKOARXNTCRX-UHFFFAOYSA-N
XLogP2.66
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-ethylphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (CID 55216244) is 2-(4-ethylphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-ethylphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-ethylphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(-c2ccc(CC)cc2)[nH]c1=O.
What is the InChIKey of 2-(4-ethylphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The InChIKey is HJLOKOARXNTCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-5-12-14(18)16-13(17-15(12)19)11-8-6-10(4-2)7-9-11/h6-9H,3-5H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-(4-ethylphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
2-(4-ethylphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one has a molecular weight of 258.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 55216244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).