5-acetyl-1-(cyclopropylmethyl)-3-(2,6-difluorophenyl)-6-hydroxypyrimidine-2,4-dione

C16H14F2N2O4 — CID 54523914

IUPAC5-acetyl-1-(cyclopropylmethyl)-3-(2,6-difluorophenyl)-6-hydroxypyrimidine-2,4-dione
SMILESCC(=O)c1c(O)n(CC2CC2)c(=O)n(-c2c(F)cccc2F)c1=O
InChIInChI=1S/C16H14F2N2O4/c1-8(21)12-14(22)19(7-9-5-6-9)16(24)20(15(12)23)13-10(17)3-2-4-11(13)18/h2-4,9,22H,5-7H2,1H3
InChIKeyMSVLNSHOQZAZMJ-UHFFFAOYSA-N
MW336.29 g/mol
LogP1.60
Rot. Bonds4

About 5-acetyl-1-(cyclopropylmethyl)-3-(2,6-difluorophenyl)-6-hydroxypyrimidine-2,4-dione

5-acetyl-1-(cyclopropylmethyl)-3-(2,6-difluorophenyl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 54523914) has the molecular formula C16H14F2N2O4 and a molecular weight of 336.29 g/mol. Its IUPAC name is 5-acetyl-1-(cyclopropylmethyl)-3-(2,6-difluorophenyl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1-(cyclopropylmethyl)-3-(2,6-difluorophenyl)-6-hydroxypyrimidine-2,4-dione
PubChem CID54523914
Molecular FormulaC16H14F2N2O4
Molecular Weight336.29 g/mol
Exact Mass336.09
IUPAC Name5-acetyl-1-(cyclopropylmethyl)-3-(2,6-difluorophenyl)-6-hydroxypyrimidine-2,4-dione
SMILESCC(=O)c1c(O)n(CC2CC2)c(=O)n(-c2c(F)cccc2F)c1=O
InChIInChI=1S/C16H14F2N2O4/c1-8(21)12-14(22)19(7-9-5-6-9)16(24)20(15(12)23)13-10(17)3-2-4-11(13)18/h2-4,9,22H,5-7H2,1H3
InChIKeyMSVLNSHOQZAZMJ-UHFFFAOYSA-N
XLogP1.60
TPSA81.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-acetyl-6-hydroxy-3-methyl-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
CID 666626
6-Anilino-1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione
CID 71819363
6-amino-1-cyclopropyl-5-[2-(4-fluoro-N-methylanilino)acetyl]pyrimidine-2,4-dione
CID 51087264
N-(4-fluorophenyl)-4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
CID 13588548
5-Acetyl-1-(cyclopropylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione
CID 19810643
5-Acetyl-1-(cyclopropylmethyl)-3-(2,6-difluorophenyl)-1,3-diazinane-2,4,6-trione
CID 19810650
3-(4-Fluorophenyl)-6-hydroxy-1-methylpyrimidine-2,4-dione
CID 29923821
5-Acetyl-1-but-3-en-2-yl-3-(3-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 53738407
5-Acetyl-1-but-3-en-2-yl-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 54037454
5-(5-Acetyl-3-but-3-en-2-yl-4-hydroxy-2,6-dioxopyrimidin-1-yl)-2-fluorobenzonitrile
CID 54232735
5-Acetyl-1-(cyclopropylmethyl)-6-hydroxy-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 54392672
5-[5-Acetyl-3-(cyclopropylmethyl)-4-hydroxy-2,6-dioxopyrimidin-1-yl]-2-fluorobenzonitrile
CID 54548773

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-(cyclopropylmethyl)-3-(2,6-difluorophenyl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1-(cyclopropylmethyl)-3-(2,6-difluorophenyl)-6-hydroxypyrimidine-2,4-dione (CID 54523914) is 5-acetyl-1-(cyclopropylmethyl)-3-(2,6-difluorophenyl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1-(cyclopropylmethyl)-3-(2,6-difluorophenyl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1-(cyclopropylmethyl)-3-(2,6-difluorophenyl)-6-hydroxypyrimidine-2,4-dione is CC(=O)c1c(O)n(CC2CC2)c(=O)n(-c2c(F)cccc2F)c1=O.
What is the InChIKey of 5-acetyl-1-(cyclopropylmethyl)-3-(2,6-difluorophenyl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is MSVLNSHOQZAZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O4/c1-8(21)12-14(22)19(7-9-5-6-9)16(24)20(15(12)23)13-10(17)3-2-4-11(13)18/h2-4,9,22H,5-7H2,1H3.
What are the key properties of 5-acetyl-1-(cyclopropylmethyl)-3-(2,6-difluorophenyl)-6-hydroxypyrimidine-2,4-dione?
5-acetyl-1-(cyclopropylmethyl)-3-(2,6-difluorophenyl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 336.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-(cyclopropylmethyl)-3-(2,6-difluorophenyl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 54523914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).