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

C14H21F3N6O — CID 70757415

IUPAC(2S,4S)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](N)CN1c1cc(C(F)(F)F)nc(N(C)C)n1
InChIInChI=1S/C14H21F3N6O/c1-4-19-12(24)9-5-8(18)7-23(9)11-6-10(14(15,16)17)20-13(21-11)22(2)3/h6,8-9H,4-5,7,18H2,1-3H3,(H,19,24)/t8-,9-/m0/s1
InChIKeyCOYJCRMDFLXDGG-IUCAKERBSA-N
MW346.36 g/mol
LogP0.60
Rot. Bonds4

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

(2S,4S)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide (PubChem CID 70757415) has the molecular formula C14H21F3N6O and a molecular weight of 346.36 g/mol. Its IUPAC name is (2S,4S)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide
PubChem CID70757415
Molecular FormulaC14H21F3N6O
Molecular Weight346.36 g/mol
Exact Mass346.17
IUPAC Name(2S,4S)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](N)CN1c1cc(C(F)(F)F)nc(N(C)C)n1
InChIInChI=1S/C14H21F3N6O/c1-4-19-12(24)9-5-8(18)7-23(9)11-6-10(14(15,16)17)20-13(21-11)22(2)3/h6,8-9H,4-5,7,18H2,1-3H3,(H,19,24)/t8-,9-/m0/s1
InChIKeyCOYJCRMDFLXDGG-IUCAKERBSA-N
XLogP0.60
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide (CID 70757415) is (2S,4S)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@H](N)CN1c1cc(C(F)(F)F)nc(N(C)C)n1.
What is the InChIKey of (2S,4S)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide?
The InChIKey is COYJCRMDFLXDGG-IUCAKERBSA-N. The full InChI is InChI=1S/C14H21F3N6O/c1-4-19-12(24)9-5-8(18)7-23(9)11-6-10(14(15,16)17)20-13(21-11)22(2)3/h6,8-9H,4-5,7,18H2,1-3H3,(H,19,24)/t8-,9-/m0/s1.
What are the key properties of (2S,4S)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide?
(2S,4S)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide has a molecular weight of 346.36 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 70757415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).