2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

C18H19F3N4O3 — CID 91913729

IUPAC2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c(N2CCOCC2)n1
InChIInChI=1S/C18H19F3N4O3/c1-12-9-16(27)25(17(22-12)24-5-7-28-8-6-24)11-15(26)23-14-4-2-3-13(10-14)18(19,20)21/h2-4,9-10H,5-8,11H2,1H3,(H,23,26)
InChIKeyCAMUJQBPZMOCSJ-UHFFFAOYSA-N
MW396.37 g/mol
LogP2.05
Rot. Bonds4

About 2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 91913729) has the molecular formula C18H19F3N4O3 and a molecular weight of 396.37 g/mol. Its IUPAC name is 2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID91913729
Molecular FormulaC18H19F3N4O3
Molecular Weight396.37 g/mol
Exact Mass396.14
IUPAC Name2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c(N2CCOCC2)n1
InChIInChI=1S/C18H19F3N4O3/c1-12-9-16(27)25(17(22-12)24-5-7-28-8-6-24)11-15(26)23-14-4-2-3-13(10-14)18(19,20)21/h2-4,9-10H,5-8,11H2,1H3,(H,23,26)
InChIKeyCAMUJQBPZMOCSJ-UHFFFAOYSA-N
XLogP2.05
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 91913729) is 2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is Cc1cc(=O)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c(N2CCOCC2)n1.
What is the InChIKey of 2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CAMUJQBPZMOCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O3/c1-12-9-16(27)25(17(22-12)24-5-7-28-8-6-24)11-15(26)23-14-4-2-3-13(10-14)18(19,20)21/h2-4,9-10H,5-8,11H2,1H3,(H,23,26).
What are the key properties of 2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 396.37 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 91913729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).