1-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one

C16H18FN3O2 — CID 53193217

IUPAC1-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
SMILESCOc1ccc(CN2CCn3c2nc(C)c(C)c3=O)cc1F
InChIInChI=1S/C16H18FN3O2/c1-10-11(2)18-16-19(6-7-20(16)15(10)21)9-12-4-5-14(22-3)13(17)8-12/h4-5,8H,6-7,9H2,1-3H3
InChIKeyQYIXYFFLXKSEGP-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.03
Rot. Bonds3

About 1-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one

1-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one (PubChem CID 53193217) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name1-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
PubChem CID53193217
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name1-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
SMILESCOc1ccc(CN2CCn3c2nc(C)c(C)c3=O)cc1F
InChIInChI=1S/C16H18FN3O2/c1-10-11(2)18-16-19(6-7-20(16)15(10)21)9-12-4-5-14(22-3)13(17)8-12/h4-5,8H,6-7,9H2,1-3H3
InChIKeyQYIXYFFLXKSEGP-UHFFFAOYSA-N
XLogP2.03
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-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

4-[1-(2,6-difluorophenyl)ethyl]-2-[(4-methoxyphenyl)methyl-methylamino]-1H-pyrimidin-6-one
CID 135981189
1-Ethyl-3-[(3-fluoro-4-methoxyphenyl)methyl]imidazolidine-2,4,5-trione
CID 2566316
4-Hydroxy-6-(4-methoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carbonitrile
CID 135448857
11-Benzyl-5-[(3-methoxyphenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
CID 166161695
11-Benzyl-5-[(2-methoxyphenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
CID 166161719
11-Benzyl-5-[(4-methoxyphenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
CID 166161723
4-[1-(2,6-difluorophenyl)ethyl]-2-[(4-methoxyphenyl)methyl-methylamino]-5-methyl-1H-pyrimidin-6-one
CID 137175147
2-(4-Methoxy-benzylamino)-6-trifluoromethyl-pyrimidin-4-ol
CID 136048712
Succinimide, N-((4-(p-methoxybenzyl)-1-piperazinyl)methyl)-
CID 3022194
(5E)-3-[(2-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 5822147
6-(4-ethoxyphenyl)-3-(3-fluorobenzyl)pyrimidin-4(3H)-one
CID 30463195
N-(2,4-dimethoxyphenyl)-3,5,6-trimethyl-2-(pyrrolidin-1-ylcarbonyl)-1-benzofuran-7-sulfonamide
CID 53037797

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one (CID 53193217) is 1-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 1-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 1-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one is COc1ccc(CN2CCn3c2nc(C)c(C)c3=O)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is QYIXYFFLXKSEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-10-11(2)18-16-19(6-7-20(16)15(10)21)9-12-4-5-14(22-3)13(17)8-12/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 1-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
1-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 303.34 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 53193217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).