5-acetyl-1-(cyclopropylmethyl)-6-hydroxy-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione

C17H15F3N2O4 — CID 54392672

IUPAC5-acetyl-1-(cyclopropylmethyl)-6-hydroxy-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
SMILESCC(=O)c1c(O)n(CC2CC2)c(=O)n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C17H15F3N2O4/c1-9(23)13-14(24)21(8-10-5-6-10)16(26)22(15(13)25)12-4-2-3-11(7-12)17(18,19)20/h2-4,7,10,24H,5-6,8H2,1H3
InChIKeyCTILCQQIZRTPPT-UHFFFAOYSA-N
MW368.31 g/mol
LogP2.34
Rot. Bonds4

About 5-acetyl-1-(cyclopropylmethyl)-6-hydroxy-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione

5-acetyl-1-(cyclopropylmethyl)-6-hydroxy-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione (PubChem CID 54392672) has the molecular formula C17H15F3N2O4 and a molecular weight of 368.31 g/mol. Its IUPAC name is 5-acetyl-1-(cyclopropylmethyl)-6-hydroxy-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1-(cyclopropylmethyl)-6-hydroxy-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
PubChem CID54392672
Molecular FormulaC17H15F3N2O4
Molecular Weight368.31 g/mol
Exact Mass368.10
IUPAC Name5-acetyl-1-(cyclopropylmethyl)-6-hydroxy-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
SMILESCC(=O)c1c(O)n(CC2CC2)c(=O)n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C17H15F3N2O4/c1-9(23)13-14(24)21(8-10-5-6-10)16(26)22(15(13)25)12-4-2-3-11(7-12)17(18,19)20/h2-4,7,10,24H,5-6,8H2,1H3
InChIKeyCTILCQQIZRTPPT-UHFFFAOYSA-N
XLogP2.34
TPSA81.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4(1H,3H)-Pyrimidinedione, dihydro-3-methyl-1-(3-(trifluoromethyl)phenyl)-
CID 3059884
1-Cyclopentyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione
CID 71681856
1-(5-Methylhexanoyl)-3-[3-(trifluoromethyl)phenyl]imidazol-2-one
CID 132454752
4-hydroxy-1,3-dimethyl-2,6-dioxo-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 13588543
4-hydroxy-1,3-dimethyl-2,6-dioxo-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 13588544
N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
CID 13588545
1-Butyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
CID 17966634
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
5-[5-Acetyl-3-(cyclopropylmethyl)-2,4,6-trioxo-1,3-diazinan-1-yl]-2-fluorobenzonitrile
CID 21688951
5-Acetyl-1-but-3-en-2-yl-3-(3-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 53738407
1,3-diethyl-4-hydroxy-2,6-dioxo-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 53938189

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-(cyclopropylmethyl)-6-hydroxy-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1-(cyclopropylmethyl)-6-hydroxy-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione (CID 54392672) is 5-acetyl-1-(cyclopropylmethyl)-6-hydroxy-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1-(cyclopropylmethyl)-6-hydroxy-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1-(cyclopropylmethyl)-6-hydroxy-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione is CC(=O)c1c(O)n(CC2CC2)c(=O)n(-c2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of 5-acetyl-1-(cyclopropylmethyl)-6-hydroxy-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione?
The InChIKey is CTILCQQIZRTPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O4/c1-9(23)13-14(24)21(8-10-5-6-10)16(26)22(15(13)25)12-4-2-3-11(7-12)17(18,19)20/h2-4,7,10,24H,5-6,8H2,1H3.
What are the key properties of 5-acetyl-1-(cyclopropylmethyl)-6-hydroxy-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione?
5-acetyl-1-(cyclopropylmethyl)-6-hydroxy-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione has a molecular weight of 368.31 g/mol, XLogP of 2.34, 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)-6-hydroxy-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione is sourced from PubChem (CID 54392672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).