2-[4-(2,5-dimethylfuran-3-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]acetamide

C19H16F3N3O2 — CID 131943288

IUPAC2-[4-(2,5-dimethylfuran-3-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]acetamide
SMILESCc1cc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc(CC(N)=O)n2)c(C)o1
InChIInChI=1S/C19H16F3N3O2/c1-10-7-14(11(2)27-10)16-8-15(24-18(25-16)9-17(23)26)12-3-5-13(6-4-12)19(20,21)22/h3-8H,9H2,1-2H3,(H2,23,26)
InChIKeyNBPYVSIGODFFKY-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.07
Rot. Bonds4

About 2-[4-(2,5-dimethylfuran-3-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]acetamide

2-[4-(2,5-dimethylfuran-3-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]acetamide (PubChem CID 131943288) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 2-[4-(2,5-dimethylfuran-3-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2,5-dimethylfuran-3-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]acetamide
PubChem CID131943288
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name2-[4-(2,5-dimethylfuran-3-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]acetamide
SMILESCc1cc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc(CC(N)=O)n2)c(C)o1
InChIInChI=1S/C19H16F3N3O2/c1-10-7-14(11(2)27-10)16-8-15(24-18(25-16)9-17(23)26)12-3-5-13(6-4-12)19(20,21)22/h3-8H,9H2,1-2H3,(H2,23,26)
InChIKeyNBPYVSIGODFFKY-UHFFFAOYSA-N
XLogP4.07
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-amino-3-cyano-6-(2,5-dimethylfuran-3-yl)-4-pyridinyl]benzamide
CID 56759193
3,6-dimethyl-4-[4-(trifluoromethyl)phenyl]pyran-2-one
CID 25189233
2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide
CID 23353620
methyl 2,6-bis[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 134634052
2-(diethylamino)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide;2-(diethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 159636537
ethyl 5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxylate
CID 2815834
[2-chloro-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl acetate
CID 151692476
ethyl 4-[4-bromo-3-hydroxy-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-4-oxobutanoate
CID 162742730
[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]methanamine
CID 121237669
2-[3,6-bis[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134623890
6-[4-[2-[(dimethylamino)methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
CID 86275713
ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxylate
CID 23563116

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethylfuran-3-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]acetamide?
The IUPAC name of 2-[4-(2,5-dimethylfuran-3-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]acetamide (CID 131943288) is 2-[4-(2,5-dimethylfuran-3-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]acetamide.
What is the SMILES notation for 2-[4-(2,5-dimethylfuran-3-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]acetamide?
The canonical SMILES for 2-[4-(2,5-dimethylfuran-3-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]acetamide is Cc1cc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc(CC(N)=O)n2)c(C)o1.
What is the InChIKey of 2-[4-(2,5-dimethylfuran-3-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]acetamide?
The InChIKey is NBPYVSIGODFFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c1-10-7-14(11(2)27-10)16-8-15(24-18(25-16)9-17(23)26)12-3-5-13(6-4-12)19(20,21)22/h3-8H,9H2,1-2H3,(H2,23,26).
What are the key properties of 2-[4-(2,5-dimethylfuran-3-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]acetamide?
2-[4-(2,5-dimethylfuran-3-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]acetamide has a molecular weight of 375.35 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethylfuran-3-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 131943288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).