(2S,4S)-4-amino-N-ethyl-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide

C16H23F3N6O — CID 70776865

IUPAC(2S,4S)-4-amino-N-ethyl-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](N)CN1c1cc(C(F)(F)F)nc(N2CCCC2)n1
InChIInChI=1S/C16H23F3N6O/c1-2-21-14(26)11-7-10(20)9-25(11)13-8-12(16(17,18)19)22-15(23-13)24-5-3-4-6-24/h8,10-11H,2-7,9,20H2,1H3,(H,21,26)/t10-,11-/m0/s1
InChIKeyDPHXDFATCWASHD-QWRGUYRKSA-N
MW372.40 g/mol
LogP1.14
Rot. Bonds4

About (2S,4S)-4-amino-N-ethyl-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide

(2S,4S)-4-amino-N-ethyl-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 70776865) has the molecular formula C16H23F3N6O and a molecular weight of 372.40 g/mol. Its IUPAC name is (2S,4S)-4-amino-N-ethyl-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N-ethyl-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID70776865
Molecular FormulaC16H23F3N6O
Molecular Weight372.40 g/mol
Exact Mass372.19
IUPAC Name(2S,4S)-4-amino-N-ethyl-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](N)CN1c1cc(C(F)(F)F)nc(N2CCCC2)n1
InChIInChI=1S/C16H23F3N6O/c1-2-21-14(26)11-7-10(20)9-25(11)13-8-12(16(17,18)19)22-15(23-13)24-5-3-4-6-24/h8,10-11H,2-7,9,20H2,1H3,(H,21,26)/t10-,11-/m0/s1
InChIKeyDPHXDFATCWASHD-QWRGUYRKSA-N
XLogP1.14
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-((3s,4s)-4-Amino-1-(6-(3,3-difluoropyrrolidin-1-yl)-2-methylpyrimidin-4-yl)pyrrolidin-3-yl)-5,5-difluoropiperidin-2-one
CID 53324213
(2S)-N-cyclopentyl-4-methyl-2-[[6-methyl-2-(pentan-2-ylamino)pyrimidin-4-yl]amino]pentanamide;2,2,2-trifluoroacetic acid
CID 44528046
(2S,4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 70710527
(2S,4R)-4-amino-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-N,N-diethylpyrrolidine-2-carboxamide
CID 70727940
(4S)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-ethyl-L-prolinamide
CID 70757415
(4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N,N-diethyl-L-prolinamide
CID 70766730
(2S,4S)-4-amino-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide
CID 70775966
(2S,4R)-4-Amino-N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-YL]ethyl}pyrrolidine-2-carboxamide
CID 56714123
5-[(2,6-Dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 64669791
2-(2,5-dioxopyrrolidin-1-yl)-N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}acetamide
CID 71796961
1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 72056167
1-Methyl-3-[[2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 75422659

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N-ethyl-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N-ethyl-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide (CID 70776865) is (2S,4S)-4-amino-N-ethyl-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N-ethyl-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N-ethyl-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@H](N)CN1c1cc(C(F)(F)F)nc(N2CCCC2)n1.
What is the InChIKey of (2S,4S)-4-amino-N-ethyl-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is DPHXDFATCWASHD-QWRGUYRKSA-N. The full InChI is InChI=1S/C16H23F3N6O/c1-2-21-14(26)11-7-10(20)9-25(11)13-8-12(16(17,18)19)22-15(23-13)24-5-3-4-6-24/h8,10-11H,2-7,9,20H2,1H3,(H,21,26)/t10-,11-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N-ethyl-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N-ethyl-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 1.14, 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-N-ethyl-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 70776865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).