N-methyl-1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide

C12H16F3N5O — CID 106771345

IUPACN-methyl-1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1cc(NC)nc(C(F)(F)F)n1
InChIInChI=1S/C12H16F3N5O/c1-16-8-6-9(19-11(18-8)12(13,14)15)20-5-3-4-7(20)10(21)17-2/h6-7H,3-5H2,1-2H3,(H,17,21)(H,16,18,19)
InChIKeyUVKKGVUAKHPAPI-UHFFFAOYSA-N
MW303.29 g/mol
LogP1.25
Rot. Bonds3

About N-methyl-1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide

N-methyl-1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 106771345) has the molecular formula C12H16F3N5O and a molecular weight of 303.29 g/mol. Its IUPAC name is N-methyl-1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID106771345
Molecular FormulaC12H16F3N5O
Molecular Weight303.29 g/mol
Exact Mass303.13
IUPAC NameN-methyl-1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1cc(NC)nc(C(F)(F)F)n1
InChIInChI=1S/C12H16F3N5O/c1-16-8-6-9(19-11(18-8)12(13,14)15)20-5-3-4-7(20)10(21)17-2/h6-7H,3-5H2,1-2H3,(H,17,21)(H,16,18,19)
InChIKeyUVKKGVUAKHPAPI-UHFFFAOYSA-N
XLogP1.25
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide (CID 106771345) is N-methyl-1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide is CNC(=O)C1CCCN1c1cc(NC)nc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is UVKKGVUAKHPAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5O/c1-16-8-6-9(19-11(18-8)12(13,14)15)20-5-3-4-7(20)10(21)17-2/h6-7H,3-5H2,1-2H3,(H,17,21)(H,16,18,19).
What are the key properties of N-methyl-1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
N-methyl-1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 303.29 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 106771345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).