N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide

C18H19F3N4O — CID 122356464

IUPACN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide
SMILESCc1nc(N2CCCC2)nc(C)c1NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H19F3N4O/c1-11-15(12(2)23-17(22-11)25-9-5-6-10-25)24-16(26)13-7-3-4-8-14(13)18(19,20)21/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,24,26)
InChIKeyJNZKYSVWRJIIRQ-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.96
Rot. Bonds3

About N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide

N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide (PubChem CID 122356464) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide
PubChem CID122356464
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC NameN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide
SMILESCc1nc(N2CCCC2)nc(C)c1NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H19F3N4O/c1-11-15(12(2)23-17(22-11)25-9-5-6-10-25)24-16(26)13-7-3-4-8-14(13)18(19,20)21/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,24,26)
InChIKeyJNZKYSVWRJIIRQ-UHFFFAOYSA-N
XLogP3.96
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide (CID 122356464) is N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide is Cc1nc(N2CCCC2)nc(C)c1NC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is JNZKYSVWRJIIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c1-11-15(12(2)23-17(22-11)25-9-5-6-10-25)24-16(26)13-7-3-4-8-14(13)18(19,20)21/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,24,26).
What are the key properties of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide?
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 364.37 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 122356464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).