2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]-N-methylacetamide

C17H16F3N3O — CID 141113132

IUPAC2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]-N-methylacetamide
SMILESCNC(=O)Cc1cnc(-c2ccc(C(F)(F)F)cc2)nc1C1CC1
InChIInChI=1S/C17H16F3N3O/c1-21-14(24)8-12-9-22-16(23-15(12)10-2-3-10)11-4-6-13(7-5-11)17(18,19)20/h4-7,9-10H,2-3,8H2,1H3,(H,21,24)
InChIKeyJJHQUEPRXFEORL-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.33
Rot. Bonds4

About 2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]-N-methylacetamide

2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]-N-methylacetamide (PubChem CID 141113132) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is 2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]-N-methylacetamide
PubChem CID141113132
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC Name2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]-N-methylacetamide
SMILESCNC(=O)Cc1cnc(-c2ccc(C(F)(F)F)cc2)nc1C1CC1
InChIInChI=1S/C17H16F3N3O/c1-21-14(24)8-12-9-22-16(23-15(12)10-2-3-10)11-4-6-13(7-5-11)17(18,19)20/h4-7,9-10H,2-3,8H2,1H3,(H,21,24)
InChIKeyJJHQUEPRXFEORL-UHFFFAOYSA-N
XLogP3.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]-N-methylacetamide?
The IUPAC name of 2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]-N-methylacetamide (CID 141113132) is 2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]-N-methylacetamide is CNC(=O)Cc1cnc(-c2ccc(C(F)(F)F)cc2)nc1C1CC1.
What is the InChIKey of 2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]-N-methylacetamide?
The InChIKey is JJHQUEPRXFEORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O/c1-21-14(24)8-12-9-22-16(23-15(12)10-2-3-10)11-4-6-13(7-5-11)17(18,19)20/h4-7,9-10H,2-3,8H2,1H3,(H,21,24).
What are the key properties of 2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]-N-methylacetamide?
2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]-N-methylacetamide has a molecular weight of 335.33 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]-N-methylacetamide is sourced from PubChem (CID 141113132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).