(2S,4R)-4-amino-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-2-carboxamide

C13H18F3N5O — CID 56714123

IUPAC(2S,4R)-4-amino-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)[C@@H]2C[C@@H](N)CN2)n1
InChIInChI=1S/C13H18F3N5O/c1-7-4-10(13(14,15)16)21-11(20-7)2-3-18-12(22)9-5-8(17)6-19-9/h4,8-9,19H,2-3,5-6,17H2,1H3,(H,18,22)/t8-,9+/m1/s1
InChIKeyUFRGOLGZOKLTPG-BDAKNGLRSA-N
MW317.32 g/mol
LogP0.15
Rot. Bonds4

About (2S,4R)-4-amino-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-2-carboxamide

(2S,4R)-4-amino-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 56714123) has the molecular formula C13H18F3N5O and a molecular weight of 317.32 g/mol. Its IUPAC name is (2S,4R)-4-amino-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-2-carboxamide
PubChem CID56714123
Molecular FormulaC13H18F3N5O
Molecular Weight317.32 g/mol
Exact Mass317.15
IUPAC Name(2S,4R)-4-amino-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)[C@@H]2C[C@@H](N)CN2)n1
InChIInChI=1S/C13H18F3N5O/c1-7-4-10(13(14,15)16)21-11(20-7)2-3-18-12(22)9-5-8(17)6-19-9/h4,8-9,19H,2-3,5-6,17H2,1H3,(H,18,22)/t8-,9+/m1/s1
InChIKeyUFRGOLGZOKLTPG-BDAKNGLRSA-N
XLogP0.15
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,4R)-4-amino-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-2-carboxamide (CID 56714123) is (2S,4R)-4-amino-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-2-carboxamide is Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@@H]2C[C@@H](N)CN2)n1.
What is the InChIKey of (2S,4R)-4-amino-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is UFRGOLGZOKLTPG-BDAKNGLRSA-N. The full InChI is InChI=1S/C13H18F3N5O/c1-7-4-10(13(14,15)16)21-11(20-7)2-3-18-12(22)9-5-8(17)6-19-9/h4,8-9,19H,2-3,5-6,17H2,1H3,(H,18,22)/t8-,9+/m1/s1.
What are the key properties of (2S,4R)-4-amino-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-2-carboxamide?
(2S,4R)-4-amino-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 317.32 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56714123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).