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

C13H19F3N6O — CID 70760319

IUPAC(2S,4R)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1c1cc(C(F)(F)F)nc(N(C)C)n1
InChIInChI=1S/C13H19F3N6O/c1-18-11(23)8-4-7(17)6-22(8)10-5-9(13(14,15)16)19-12(20-10)21(2)3/h5,7-8H,4,6,17H2,1-3H3,(H,18,23)/t7-,8+/m1/s1
InChIKeyPYVOINZKLONXJZ-SFYZADRCSA-N
MW332.33 g/mol
LogP0.21
Rot. Bonds3

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

(2S,4R)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 70760319) has the molecular formula C13H19F3N6O and a molecular weight of 332.33 g/mol. Its IUPAC name is (2S,4R)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
PubChem CID70760319
Molecular FormulaC13H19F3N6O
Molecular Weight332.33 g/mol
Exact Mass332.16
IUPAC Name(2S,4R)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1c1cc(C(F)(F)F)nc(N(C)C)n1
InChIInChI=1S/C13H19F3N6O/c1-18-11(23)8-4-7(17)6-22(8)10-5-9(13(14,15)16)19-12(20-10)21(2)3/h5,7-8H,4,6,17H2,1-3H3,(H,18,23)/t7-,8+/m1/s1
InChIKeyPYVOINZKLONXJZ-SFYZADRCSA-N
XLogP0.21
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide (CID 70760319) is (2S,4R)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@@H](N)CN1c1cc(C(F)(F)F)nc(N(C)C)n1.
What is the InChIKey of (2S,4R)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is PYVOINZKLONXJZ-SFYZADRCSA-N. The full InChI is InChI=1S/C13H19F3N6O/c1-18-11(23)8-4-7(17)6-22(8)10-5-9(13(14,15)16)19-12(20-10)21(2)3/h5,7-8H,4,6,17H2,1-3H3,(H,18,23)/t7-,8+/m1/s1.
What are the key properties of (2S,4R)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide?
(2S,4R)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 332.33 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 70760319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).