5-chloro-1-[(3-methoxyphenyl)methyl]pyrimidine-2,4-dione

C12H11ClN2O3 — CID 66425761

IUPAC5-chloro-1-[(3-methoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCOc1cccc(Cn2cc(Cl)c(=O)[nH]c2=O)c1
InChIInChI=1S/C12H11ClN2O3/c1-18-9-4-2-3-8(5-9)6-15-7-10(13)11(16)14-12(15)17/h2-5,7H,6H2,1H3,(H,14,16,17)
InChIKeyCAEWEKXYNLPIGU-UHFFFAOYSA-N
MW266.68 g/mol
LogP1.25
Rot. Bonds3

About 5-chloro-1-[(3-methoxyphenyl)methyl]pyrimidine-2,4-dione

5-chloro-1-[(3-methoxyphenyl)methyl]pyrimidine-2,4-dione (PubChem CID 66425761) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 5-chloro-1-[(3-methoxyphenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1-[(3-methoxyphenyl)methyl]pyrimidine-2,4-dione
PubChem CID66425761
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name5-chloro-1-[(3-methoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCOc1cccc(Cn2cc(Cl)c(=O)[nH]c2=O)c1
InChIInChI=1S/C12H11ClN2O3/c1-18-9-4-2-3-8(5-9)6-15-7-10(13)11(16)14-12(15)17/h2-5,7H,6H2,1H3,(H,14,16,17)
InChIKeyCAEWEKXYNLPIGU-UHFFFAOYSA-N
XLogP1.25
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-chloro-2,4-dioxopyrimidin-1-yl)methyl]benzonitrile
CID 66423584
4-[(5-chloro-2,4-dioxopyrimidin-1-yl)methyl]-2-methoxybenzonitrile
CID 106793156
1-ethyl-3-[(3-methoxyphenyl)methyl]imidazol-2-one
CID 116624332
5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-dione
CID 66424380
3-bromo-1-[(3-methoxyphenyl)methyl]pyridin-2-one
CID 114761033
5-fluoro-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 3069741
1-[(5-amino-2-methoxyphenyl)methyl]-5-chloropyrimidine-2,4-dione
CID 66423554
6-fluoro-3-[(3-methoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117207476
5-bromo-1-[(3-methylphenyl)methyl]pyrimidine-2,4-dione
CID 63778005
1-[(3-methoxyphenyl)methyl]piperazine-2,6-dione
CID 66063818
1-[(3-chlorophenyl)methyl]-5-nitropyrimidine-2,4-dione
CID 63811437
4-[(3-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione
CID 4791207

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(3-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1-[(3-methoxyphenyl)methyl]pyrimidine-2,4-dione (CID 66425761) is 5-chloro-1-[(3-methoxyphenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1-[(3-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1-[(3-methoxyphenyl)methyl]pyrimidine-2,4-dione is COc1cccc(Cn2cc(Cl)c(=O)[nH]c2=O)c1.
What is the InChIKey of 5-chloro-1-[(3-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is CAEWEKXYNLPIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-18-9-4-2-3-8(5-9)6-15-7-10(13)11(16)14-12(15)17/h2-5,7H,6H2,1H3,(H,14,16,17).
What are the key properties of 5-chloro-1-[(3-methoxyphenyl)methyl]pyrimidine-2,4-dione?
5-chloro-1-[(3-methoxyphenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 266.68 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(3-methoxyphenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66425761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).