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

C14H15FN2O2 — CID 103241871

IUPAC4-(4-fluoro-3-methylphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1cc(Oc2cc(=O)[nH]c(C(C)C)n2)ccc1F
InChIInChI=1S/C14H15FN2O2/c1-8(2)14-16-12(18)7-13(17-14)19-10-4-5-11(15)9(3)6-10/h4-8H,1-3H3,(H,16,17,18)
InChIKeyGFPWBVRNETUSIS-UHFFFAOYSA-N
MW262.28 g/mol
LogP3.13
Rot. Bonds3

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

4-(4-fluoro-3-methylphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 103241871) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID103241871
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name4-(4-fluoro-3-methylphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1cc(Oc2cc(=O)[nH]c(C(C)C)n2)ccc1F
InChIInChI=1S/C14H15FN2O2/c1-8(2)14-16-12(18)7-13(17-14)19-10-4-5-11(15)9(3)6-10/h4-8H,1-3H3,(H,16,17,18)
InChIKeyGFPWBVRNETUSIS-UHFFFAOYSA-N
XLogP3.13
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 53.13
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-[(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
(E)-N-(2,3-dihydropyridin-6-yl)-3-(2-fluoro-4-methoxyphenyl)prop-2-enamide
CID 134582115
2-[(1S)-3,3-difluorocyclohexyl]-1H-pyrimidin-6-one;1,2-difluoro-3-methoxybenzene
CID 177192129
2-[(1S)-3,3-difluorocyclohexyl]-4,5-dimethyl-1H-pyrimidin-6-one;1,2-difluoro-3-methoxybenzene
CID 177193191
5-fluoro-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 10799674
2-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one
CID 71871881
2-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-pyrimidin-6-one
CID 71916382

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-fluoro-3-methylphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one (CID 103241871) is 4-(4-fluoro-3-methylphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-fluoro-3-methylphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-fluoro-3-methylphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one is Cc1cc(Oc2cc(=O)[nH]c(C(C)C)n2)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methylphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is GFPWBVRNETUSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-8(2)14-16-12(18)7-13(17-14)19-10-4-5-11(15)9(3)6-10/h4-8H,1-3H3,(H,16,17,18).
What are the key properties of 4-(4-fluoro-3-methylphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(4-fluoro-3-methylphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 262.28 g/mol, XLogP of 3.13, 3 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-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 103241871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).