4-(4-fluoro-3-methylphenoxy)-2-methyl-1H-pyrimidin-6-one

C12H11FN2O2 — CID 103241864

IUPAC4-(4-fluoro-3-methylphenoxy)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Oc2ccc(F)c(C)c2)cc(=O)[nH]1
InChIInChI=1S/C12H11FN2O2/c1-7-5-9(3-4-10(7)13)17-12-6-11(16)14-8(2)15-12/h3-6H,1-2H3,(H,14,15,16)
InChIKeyQATRCSZHZHROFQ-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.32
Rot. Bonds2

About 4-(4-fluoro-3-methylphenoxy)-2-methyl-1H-pyrimidin-6-one

4-(4-fluoro-3-methylphenoxy)-2-methyl-1H-pyrimidin-6-one (PubChem CID 103241864) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenoxy)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenoxy)-2-methyl-1H-pyrimidin-6-one
PubChem CID103241864
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name4-(4-fluoro-3-methylphenoxy)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Oc2ccc(F)c(C)c2)cc(=O)[nH]1
InChIInChI=1S/C12H11FN2O2/c1-7-5-9(3-4-10(7)13)17-12-6-11(16)14-8(2)15-12/h3-6H,1-2H3,(H,14,15,16)
InChIKeyQATRCSZHZHROFQ-UHFFFAOYSA-N
XLogP2.32
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Pyrimidinol, 6-methyl-2-((m-tolyloxy)methyl)-
CID 135406787
2,6-Dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrimidin-4-ol
CID 135419007
2-[2-(4-Methoxy-phenyl)-ethyl]-6-trifluoromethyl-pyrimidin-4-ol
CID 136048720
2-Amino-6-(2-fluoro-5-methoxyphenyl)pyrimidin-4-ol
CID 136086637
2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one
CID 75535521
2-[2-(3-propan-2-yloxyphenyl)ethenyl]-1H-pyrimidin-6-one
CID 91941408
2-(2-Fluoro-5-methoxyphenyl)-4,6-dihydroxypyrimidine
CID 21473028
8-(4-Fluoro-3-methylphenoxy)pyrido[1,2-a]pyrimidin-4-one
CID 22263539
5-fluoro-2-[(3-methoxyphenyl)methoxy]-1H-pyrimidin-6-one
CID 57818534
2-[(2-Fluoro-3-methoxybenzyl)thio]pyrimidine-4,6-diol
CID 66702042
(6,6-difluoro-5-methylhex-5-enyl) 4-(3-methylphenoxy)-6-oxo-1H-pyrimidine-2-carboxylate
CID 69180955
[3-[(5-fluoro-6-oxo-1H-pyrimidin-2-yl)oxymethyl]phenyl] cyanate
CID 118312279

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenoxy)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-fluoro-3-methylphenoxy)-2-methyl-1H-pyrimidin-6-one (CID 103241864) is 4-(4-fluoro-3-methylphenoxy)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-fluoro-3-methylphenoxy)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-fluoro-3-methylphenoxy)-2-methyl-1H-pyrimidin-6-one is Cc1nc(Oc2ccc(F)c(C)c2)cc(=O)[nH]1.
What is the InChIKey of 4-(4-fluoro-3-methylphenoxy)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is QATRCSZHZHROFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-7-5-9(3-4-10(7)13)17-12-6-11(16)14-8(2)15-12/h3-6H,1-2H3,(H,14,15,16).
What are the key properties of 4-(4-fluoro-3-methylphenoxy)-2-methyl-1H-pyrimidin-6-one?
4-(4-fluoro-3-methylphenoxy)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 234.23 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenoxy)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 103241864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).