N-(2-hydroxyethyl)-N-methyl-2-[6-oxo-2-(4,4,4-trifluorobutyl)-4-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide

C20H21F6N3O3 — CID 129198178

IUPACN-(2-hydroxyethyl)-N-methyl-2-[6-oxo-2-(4,4,4-trifluorobutyl)-4-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide
SMILESCN(CCO)C(=O)Cn1c(CCCC(F)(F)F)nc(-c2ccc(C(F)(F)F)cc2)cc1=O
InChIInChI=1S/C20H21F6N3O3/c1-28(9-10-30)18(32)12-29-16(3-2-8-19(21,22)23)27-15(11-17(29)31)13-4-6-14(7-5-13)20(24,25)26/h4-7,11,30H,2-3,8-10,12H2,1H3
InChIKeyDSVLIDSVQAATNM-UHFFFAOYSA-N
MW465.39 g/mol
LogP3.26
Rot. Bonds8

About N-(2-hydroxyethyl)-N-methyl-2-[6-oxo-2-(4,4,4-trifluorobutyl)-4-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide

N-(2-hydroxyethyl)-N-methyl-2-[6-oxo-2-(4,4,4-trifluorobutyl)-4-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide (PubChem CID 129198178) has the molecular formula C20H21F6N3O3 and a molecular weight of 465.39 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-2-[6-oxo-2-(4,4,4-trifluorobutyl)-4-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-2-[6-oxo-2-(4,4,4-trifluorobutyl)-4-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide
PubChem CID129198178
Molecular FormulaC20H21F6N3O3
Molecular Weight465.39 g/mol
Exact Mass465.15
IUPAC NameN-(2-hydroxyethyl)-N-methyl-2-[6-oxo-2-(4,4,4-trifluorobutyl)-4-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide
SMILESCN(CCO)C(=O)Cn1c(CCCC(F)(F)F)nc(-c2ccc(C(F)(F)F)cc2)cc1=O
InChIInChI=1S/C20H21F6N3O3/c1-28(9-10-30)18(32)12-29-16(3-2-8-19(21,22)23)27-15(11-17(29)31)13-4-6-14(7-5-13)20(24,25)26/h4-7,11,30H,2-3,8-10,12H2,1H3
InChIKeyDSVLIDSVQAATNM-UHFFFAOYSA-N
XLogP3.26
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-2-[6-oxo-2-(4,4,4-trifluorobutyl)-4-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-2-[6-oxo-2-(4,4,4-trifluorobutyl)-4-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide (CID 129198178) is N-(2-hydroxyethyl)-N-methyl-2-[6-oxo-2-(4,4,4-trifluorobutyl)-4-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-2-[6-oxo-2-(4,4,4-trifluorobutyl)-4-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-2-[6-oxo-2-(4,4,4-trifluorobutyl)-4-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide is CN(CCO)C(=O)Cn1c(CCCC(F)(F)F)nc(-c2ccc(C(F)(F)F)cc2)cc1=O.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-2-[6-oxo-2-(4,4,4-trifluorobutyl)-4-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide?
The InChIKey is DSVLIDSVQAATNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F6N3O3/c1-28(9-10-30)18(32)12-29-16(3-2-8-19(21,22)23)27-15(11-17(29)31)13-4-6-14(7-5-13)20(24,25)26/h4-7,11,30H,2-3,8-10,12H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-2-[6-oxo-2-(4,4,4-trifluorobutyl)-4-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide?
N-(2-hydroxyethyl)-N-methyl-2-[6-oxo-2-(4,4,4-trifluorobutyl)-4-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide has a molecular weight of 465.39 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-2-[6-oxo-2-(4,4,4-trifluorobutyl)-4-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 129198178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).