1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide

C10H11F3N4O — CID 60507589

IUPAC1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)7-1-3-15-9(16-7)17-4-2-6(5-17)8(14)18/h1,3,6H,2,4-5H2,(H2,14,18)
InChIKeyCOKCLWSUJICZJP-UHFFFAOYSA-N
MW260.22 g/mol
LogP0.81
Rot. Bonds2

About 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide

1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide (PubChem CID 60507589) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide
PubChem CID60507589
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Name1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)7-1-3-15-9(16-7)17-4-2-6(5-17)8(14)18/h1,3,6H,2,4-5H2,(H2,14,18)
InChIKeyCOKCLWSUJICZJP-UHFFFAOYSA-N
XLogP0.81
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide (CID 60507589) is 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide is NC(=O)C1CCN(c2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is COKCLWSUJICZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O/c11-10(12,13)7-1-3-15-9(16-7)17-4-2-6(5-17)8(14)18/h1,3,6H,2,4-5H2,(H2,14,18).
What are the key properties of 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide?
1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 260.22 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 60507589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).