6-chloro-1-(2-phenylethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione

C16H19ClN2O3 — CID 11244192

IUPAC6-chloro-1-(2-phenylethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)c1c(Cl)n(COCCc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C16H19ClN2O3/c1-11(2)13-14(17)19(16(21)18-15(13)20)10-22-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,18,20,21)
InChIKeyPALBIVRDRABRDL-UHFFFAOYSA-N
MW322.79 g/mol
LogP2.53
Rot. Bonds6

About 6-chloro-1-(2-phenylethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione

6-chloro-1-(2-phenylethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione (PubChem CID 11244192) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is 6-chloro-1-(2-phenylethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-1-(2-phenylethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
PubChem CID11244192
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name6-chloro-1-(2-phenylethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)c1c(Cl)n(COCCc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C16H19ClN2O3/c1-11(2)13-14(17)19(16(21)18-15(13)20)10-22-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,18,20,21)
InChIKeyPALBIVRDRABRDL-UHFFFAOYSA-N
XLogP2.53
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-benzyl-1-[[(E)-4-hydroxybut-2-enoxy]methyl]-5-propan-2-ylpyrimidine-2,4-dione
CID 24884730
1-(2-hydroxyethoxymethyl)-6-(naphthalen-1-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 509571
1-(ethoxymethyl)-6-naphthalen-2-ylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione
CID 11773106
[(Z)-4-[(6-benzyl-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)methoxy]but-2-enyl] 4-methylbenzoate
CID 11698348
6-benzyl-1-[4-(4-fluorophenyl)butyl]-5-propan-2-ylpyrimidine-2,4-dione
CID 52937849
5-chloro-1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 127047090
6-(3,5-dimethylphenoxy)-1-(2-methoxyethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 23284612
1-(ethoxymethyl)-5-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
CID 24776874
3-(2-phenylethoxy)propyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 166334199
6-[1-(4-fluorophenyl)ethyl]-5-methyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 172877298
1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-(3,5-dimethylphenyl)selanyl-5-propan-2-ylpyrimidine-2,4-dione
CID 10768420
6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 24776986

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-phenylethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 6-chloro-1-(2-phenylethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione (CID 11244192) is 6-chloro-1-(2-phenylethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-1-(2-phenylethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-1-(2-phenylethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione is CC(C)c1c(Cl)n(COCCc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-chloro-1-(2-phenylethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is PALBIVRDRABRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-11(2)13-14(17)19(16(21)18-15(13)20)10-22-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,18,20,21).
What are the key properties of 6-chloro-1-(2-phenylethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
6-chloro-1-(2-phenylethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 322.79 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-phenylethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 11244192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).