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

C14H15FN2O2 — CID 103241898

IUPAC4-(4-fluoro-2-methylphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1cc(F)ccc1Oc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H15FN2O2/c1-8(2)14-16-12(18)7-13(17-14)19-11-5-4-10(15)6-9(11)3/h4-8H,1-3H3,(H,16,17,18)
InChIKeySIRSURPEOIGRMK-UHFFFAOYSA-N
MW262.28 g/mol
LogP3.13
Rot. Bonds3

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

4-(4-fluoro-2-methylphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 103241898) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-fluoro-2-methylphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID103241898
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name4-(4-fluoro-2-methylphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1cc(F)ccc1Oc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H15FN2O2/c1-8(2)14-16-12(18)7-13(17-14)19-11-5-4-10(15)6-9(11)3/h4-8H,1-3H3,(H,16,17,18)
InChIKeySIRSURPEOIGRMK-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

Analyze 4-(4-fluoro-2-methylphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Methyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-ol
CID 135419018
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
(E)-N-(2,3-dihydropyridin-6-yl)-3-(2-fluoro-4-methoxyphenyl)prop-2-enamide
CID 134582115
4-[(2,4-difluorophenyl)methoxy]-2-methyl-1H-pyrimidin-6-one
CID 153728001
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
4-hydroxy-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
CID 55259166
4-hydroxy-5-methyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
CID 63611781
2-[2-(difluoromethoxy)phenyl]-4-hydroxy-1H-pyrimidin-6-one
CID 63613094
2-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one
CID 71871881

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-fluoro-2-methylphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one (CID 103241898) is 4-(4-fluoro-2-methylphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-fluoro-2-methylphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-fluoro-2-methylphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one is Cc1cc(F)ccc1Oc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-(4-fluoro-2-methylphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is SIRSURPEOIGRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-8(2)14-16-12(18)7-13(17-14)19-11-5-4-10(15)6-9(11)3/h4-8H,1-3H3,(H,16,17,18).
What are the key properties of 4-(4-fluoro-2-methylphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(4-fluoro-2-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-2-methylphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 103241898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).