1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide

C11H14F3N5O — CID 114564561

IUPAC1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C11H14F3N5O/c1-16-9(20)6-3-2-4-19(6)8-5-7(11(12,13)14)17-10(15)18-8/h5-6H,2-4H2,1H3,(H,16,20)(H2,15,17,18)
InChIKeyDWABGDISJYTOCI-UHFFFAOYSA-N
MW289.26 g/mol
LogP0.79
Rot. Bonds2

About 1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide

1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 114564561) has the molecular formula C11H14F3N5O and a molecular weight of 289.26 g/mol. Its IUPAC name is 1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
PubChem CID114564561
Molecular FormulaC11H14F3N5O
Molecular Weight289.26 g/mol
Exact Mass289.12
IUPAC Name1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C11H14F3N5O/c1-16-9(20)6-3-2-4-19(6)8-5-7(11(12,13)14)17-10(15)18-8/h5-6H,2-4H2,1H3,(H,16,20)(H2,15,17,18)
InChIKeyDWABGDISJYTOCI-UHFFFAOYSA-N
XLogP0.79
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide (CID 114564561) is 1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1c1cc(C(F)(F)F)nc(N)n1.
What is the InChIKey of 1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is DWABGDISJYTOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5O/c1-16-9(20)6-3-2-4-19(6)8-5-7(11(12,13)14)17-10(15)18-8/h5-6H,2-4H2,1H3,(H,16,20)(H2,15,17,18).
What are the key properties of 1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 289.26 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 114564561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).