2-(3-chloro-4-hydroxyphenyl)-4-ethyl-1H-pyrimidin-6-one

C12H11ClN2O2 — CID 135974715

IUPAC2-(3-chloro-4-hydroxyphenyl)-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(O)c(Cl)c2)n1
InChIInChI=1S/C12H11ClN2O2/c1-2-8-6-11(17)15-12(14-8)7-3-4-10(16)9(13)5-7/h3-6,16H,2H2,1H3,(H,14,15,17)
InChIKeyPFTZMHQHXVRADY-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.36
Rot. Bonds2

About 2-(3-chloro-4-hydroxyphenyl)-4-ethyl-1H-pyrimidin-6-one

2-(3-chloro-4-hydroxyphenyl)-4-ethyl-1H-pyrimidin-6-one (PubChem CID 135974715) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-(3-chloro-4-hydroxyphenyl)-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-chloro-4-hydroxyphenyl)-4-ethyl-1H-pyrimidin-6-one
PubChem CID135974715
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name2-(3-chloro-4-hydroxyphenyl)-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(O)c(Cl)c2)n1
InChIInChI=1S/C12H11ClN2O2/c1-2-8-6-11(17)15-12(14-8)7-3-4-10(16)9(13)5-7/h3-6,16H,2H2,1H3,(H,14,15,17)
InChIKeyPFTZMHQHXVRADY-UHFFFAOYSA-N
XLogP2.36
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydroxyphenyl)-4-propyl-1H-pyrimidin-6-one
CID 136938589
4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1H-pyrimidin-6-one
CID 136938663
2-chloro-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
CID 146083065
2-[6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137257636
5-bromo-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-hydroxybenzamide
CID 136961162
2-(3-bromo-4-chlorophenyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
CID 136920385
2-[6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137268371
3-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]propanoic acid
CID 137098040
4-(chloromethyl)-2-(3-chlorophenyl)-1H-pyrimidin-6-one
CID 135978468
2-(3-amino-4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 82476781
(2R)-2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-3-methylbutanoic acid
CID 137098081
1-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 137094564

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-4-ethyl-1H-pyrimidin-6-one (CID 135974715) is 2-(3-chloro-4-hydroxyphenyl)-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-chloro-4-hydroxyphenyl)-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-chloro-4-hydroxyphenyl)-4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2ccc(O)c(Cl)c2)n1.
What is the InChIKey of 2-(3-chloro-4-hydroxyphenyl)-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is PFTZMHQHXVRADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-2-8-6-11(17)15-12(14-8)7-3-4-10(16)9(13)5-7/h3-6,16H,2H2,1H3,(H,14,15,17).
What are the key properties of 2-(3-chloro-4-hydroxyphenyl)-4-ethyl-1H-pyrimidin-6-one?
2-(3-chloro-4-hydroxyphenyl)-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 250.69 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-hydroxyphenyl)-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135974715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).