6-[1-(4-fluorophenyl)ethyl]-5-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione

C21H21FN2O3 — CID 172877298

IUPAC6-[1-(4-fluorophenyl)ethyl]-5-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESCc1c(C(C)c2ccc(F)cc2)n(COCc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C21H21FN2O3/c1-14(17-8-10-18(22)11-9-17)19-15(2)20(25)23-21(26)24(19)13-27-12-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,23,25,26)
InChIKeyKVLPQXVCHMDKME-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.31
Rot. Bonds6

About 6-[1-(4-fluorophenyl)ethyl]-5-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione

6-[1-(4-fluorophenyl)ethyl]-5-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione (PubChem CID 172877298) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is 6-[1-(4-fluorophenyl)ethyl]-5-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[1-(4-fluorophenyl)ethyl]-5-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
PubChem CID172877298
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name6-[1-(4-fluorophenyl)ethyl]-5-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESCc1c(C(C)c2ccc(F)cc2)n(COCc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C21H21FN2O3/c1-14(17-8-10-18(22)11-9-17)19-15(2)20(25)23-21(26)24(19)13-27-12-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,23,25,26)
InChIKeyKVLPQXVCHMDKME-UHFFFAOYSA-N
XLogP3.31
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[1-(4-fluorophenyl)ethyl]-5-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione 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

5-chloro-1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 127047090
5-bromo-6-[(3,5-dimethylphenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 56964462
5-fluoro-3-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione
CID 139330532
6-[(3,5-difluorophenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 141308336
5-(dimethylamino)-6-[(3,5-dimethylphenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 56964463
3-(phenylmethoxymethyl)-1H-quinazoline-2,4-dione
CID 139951410
6-benzoyl-2,4-dioxo-1-(phenylmethoxymethyl)pyrimidine-5-carboxylic acid
CID 141371447
1-[(4-acetylphenyl)methoxymethyl]-6-benzyl-5-ethylpyrimidine-2,4-dione
CID 16747813
6-benzyl-2-(phenylmethoxymethyl)-1,2,4-triazine-3,5-dione
CID 25199123
5-cyclopropyl-6-(2,6-dimethylphenyl)sulfanyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 170855641
8-methyl-1-(phenylmethoxymethyl)-5H-pyrimido[4,5-b][1,4]benzothiazine-2,4-dione
CID 506485
3-(phenylmethoxymethyl)-1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
CID 137276398

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-fluorophenyl)ethyl]-5-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-[1-(4-fluorophenyl)ethyl]-5-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione (CID 172877298) is 6-[1-(4-fluorophenyl)ethyl]-5-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-[1-(4-fluorophenyl)ethyl]-5-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-[1-(4-fluorophenyl)ethyl]-5-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione is Cc1c(C(C)c2ccc(F)cc2)n(COCc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-[1-(4-fluorophenyl)ethyl]-5-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is KVLPQXVCHMDKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-14(17-8-10-18(22)11-9-17)19-15(2)20(25)23-21(26)24(19)13-27-12-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,23,25,26).
What are the key properties of 6-[1-(4-fluorophenyl)ethyl]-5-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
6-[1-(4-fluorophenyl)ethyl]-5-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 368.41 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-fluorophenyl)ethyl]-5-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 172877298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).