5-[3-(2-fluoro-6-methoxyphenyl)-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione

C16H15FN2O4 — CID 71995768

IUPAC5-[3-(2-fluoro-6-methoxyphenyl)-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1cccc(F)c1C(=O)C=Cc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C16H15FN2O4/c1-18-9-10(15(21)19(2)16(18)22)7-8-12(20)14-11(17)5-4-6-13(14)23-3/h4-9H,1-3H3
InChIKeyVCDVRRBJQQHPCP-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.13
Rot. Bonds4

About 5-[3-(2-fluoro-6-methoxyphenyl)-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione

5-[3-(2-fluoro-6-methoxyphenyl)-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 71995768) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is 5-[3-(2-fluoro-6-methoxyphenyl)-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[3-(2-fluoro-6-methoxyphenyl)-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID71995768
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name5-[3-(2-fluoro-6-methoxyphenyl)-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1cccc(F)c1C(=O)C=Cc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C16H15FN2O4/c1-18-9-10(15(21)19(2)16(18)22)7-8-12(20)14-11(17)5-4-6-13(14)23-3/h4-9H,1-3H3
InChIKeyVCDVRRBJQQHPCP-UHFFFAOYSA-N
XLogP1.13
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 3793733
CID 3793733
CID 56680398
CID 56680398
CID 10465548
CID 10465548
CID 44300901
CID 44300901
CID 44421117
CID 44421117
CID 76326058
CID 76326058
CID 155516040
CID 155516040
CID 155534673
CID 155534673
CID 155555277
CID 155555277
CID 155564426
CID 155564426
CID 122402137
CID 122402137
CID 355947
CID 355947

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-fluoro-6-methoxyphenyl)-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[3-(2-fluoro-6-methoxyphenyl)-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione (CID 71995768) is 5-[3-(2-fluoro-6-methoxyphenyl)-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[3-(2-fluoro-6-methoxyphenyl)-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[3-(2-fluoro-6-methoxyphenyl)-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione is COc1cccc(F)c1C(=O)C=Cc1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 5-[3-(2-fluoro-6-methoxyphenyl)-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is VCDVRRBJQQHPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-18-9-10(15(21)19(2)16(18)22)7-8-12(20)14-11(17)5-4-6-13(14)23-3/h4-9H,1-3H3.
What are the key properties of 5-[3-(2-fluoro-6-methoxyphenyl)-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[3-(2-fluoro-6-methoxyphenyl)-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 318.30 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-fluoro-6-methoxyphenyl)-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 71995768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).