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

C11H14F3N5O — CID 106770310

IUPAC1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESCNc1cc(N2CCCC2C(N)=O)nc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N5O/c1-16-7-5-8(18-10(17-7)11(12,13)14)19-4-2-3-6(19)9(15)20/h5-6H,2-4H2,1H3,(H2,15,20)(H,16,17,18)
InChIKeyYJNXPTJOFYKDOB-UHFFFAOYSA-N
MW289.26 g/mol
LogP0.99
Rot. Bonds3

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

1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 106770310) has the molecular formula C11H14F3N5O and a molecular weight of 289.26 g/mol. Its IUPAC name is 1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID106770310
Molecular FormulaC11H14F3N5O
Molecular Weight289.26 g/mol
Exact Mass289.12
IUPAC Name1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESCNc1cc(N2CCCC2C(N)=O)nc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N5O/c1-16-7-5-8(18-10(17-7)11(12,13)14)19-4-2-3-6(19)9(15)20/h5-6H,2-4H2,1H3,(H2,15,20)(H,16,17,18)
InChIKeyYJNXPTJOFYKDOB-UHFFFAOYSA-N
XLogP0.99
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide (CID 106770310) is 1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide is CNc1cc(N2CCCC2C(N)=O)nc(C(F)(F)F)n1.
What is the InChIKey of 1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is YJNXPTJOFYKDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5O/c1-16-7-5-8(18-10(17-7)11(12,13)14)19-4-2-3-6(19)9(15)20/h5-6H,2-4H2,1H3,(H2,15,20)(H,16,17,18).
What are the key properties of 1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 289.26 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 106770310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).