2-(4-ethylphenyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one

C15H18N2O2 — CID 135472861

IUPAC2-(4-ethylphenyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCCc1ccc(-c2nc(C)c(CCO)c(=O)[nH]2)cc1
InChIInChI=1S/C15H18N2O2/c1-3-11-4-6-12(7-5-11)14-16-10(2)13(8-9-18)15(19)17-14/h4-7,18H,3,8-9H2,1-2H3,(H,16,17,19)
InChIKeyDQQLDHXOCQTQKF-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.84
Rot. Bonds4

About 2-(4-ethylphenyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one

2-(4-ethylphenyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135472861) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-ethylphenyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID135472861
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(4-ethylphenyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCCc1ccc(-c2nc(C)c(CCO)c(=O)[nH]2)cc1
InChIInChI=1S/C15H18N2O2/c1-3-11-4-6-12(7-5-11)14-16-10(2)13(8-9-18)15(19)17-14/h4-7,18H,3,8-9H2,1-2H3,(H,16,17,19)
InChIKeyDQQLDHXOCQTQKF-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-5-(2-methylprop-2-en-1-yl)-2-phenylpyrimidin-4-ol
CID 135449249
Pentyl (4-hydroxy-6-methyl-2-phenylpyrimidin-5-yl)acetate
CID 135449607
Ethyl (4-hydroxy-6-methyl-2-phenylpyrimidin-5-yl)acetate
CID 135449514
Hexyl (4-hydroxy-6-methyl-2-phenylpyrimidin-5-yl)acetate
CID 135468759
2-(4-Fluorophenyl)-5-(2-hydroxyethyl)-6-methyl-3-[(4-methylphenyl)methyl]-3,4-dihydropyrimidin-4-one
CID 91912010
2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1(6H)-yl]-N-(4-methylbenzyl)acetamide
CID 51368498
5-Allyl-6-methyl-2-phenylpyrimidin-4-ol
CID 135411368
3-[(4-Fluorophenyl)methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one
CID 53191838
5-(2-hydroxyethyl)-3-isopropyl-6-methyl-2-phenyl-4(3H)-pyrimidinone
CID 53191830
4-{[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1(6H)-yl]methyl}benzonitrile
CID 91924251
(4-Hydroxy-6-methyl-2-phenyl-pyrimidin-5-yl)-acetic acid
CID 135436001
3-(2-fluorobenzyl)-5-(2-hydroxyethyl)-6-methyl-2-phenyl-4(3H)-pyrimidinone
CID 53191836

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-ethylphenyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one (CID 135472861) is 2-(4-ethylphenyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-ethylphenyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-ethylphenyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one is CCc1ccc(-c2nc(C)c(CCO)c(=O)[nH]2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is DQQLDHXOCQTQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-11-4-6-12(7-5-11)14-16-10(2)13(8-9-18)15(19)17-14/h4-7,18H,3,8-9H2,1-2H3,(H,16,17,19).
What are the key properties of 2-(4-ethylphenyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
2-(4-ethylphenyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 258.32 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135472861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).