(2S,5R)-5-amino-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]oxane-2-carboxamide

C12H15F3N4O2 — CID 142586810

IUPAC(2S,5R)-5-amino-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]oxane-2-carboxamide
SMILESN[C@@H]1CC[C@@H](C(=O)NCc2cnc(C(F)(F)F)nc2)OC1
InChIInChI=1S/C12H15F3N4O2/c13-12(14,15)11-18-4-7(5-19-11)3-17-10(20)9-2-1-8(16)6-21-9/h4-5,8-9H,1-3,6,16H2,(H,17,20)/t8-,9+/m1/s1
InChIKeyZOPRXYWAYPFCPZ-BDAKNGLRSA-N
MW304.27 g/mol
LogP0.62
Rot. Bonds3

About (2S,5R)-5-amino-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]oxane-2-carboxamide

(2S,5R)-5-amino-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]oxane-2-carboxamide (PubChem CID 142586810) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is (2S,5R)-5-amino-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]oxane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-amino-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]oxane-2-carboxamide
PubChem CID142586810
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC Name(2S,5R)-5-amino-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]oxane-2-carboxamide
SMILESN[C@@H]1CC[C@@H](C(=O)NCc2cnc(C(F)(F)F)nc2)OC1
InChIInChI=1S/C12H15F3N4O2/c13-12(14,15)11-18-4-7(5-19-11)3-17-10(20)9-2-1-8(16)6-21-9/h4-5,8-9H,1-3,6,16H2,(H,17,20)/t8-,9+/m1/s1
InChIKeyZOPRXYWAYPFCPZ-BDAKNGLRSA-N
XLogP0.62
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3aR,5S,7aR)-1-(5-fluoropyrimidin-2-yl)-N-(2-methoxyethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97461421
(3aR,5R,7aR)-1-(5-fluoropyrimidin-2-yl)-N-(2-methoxyethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97461708
9-(5-methylpyrimidin-2-yl)-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide
CID 118738938
2-ethoxy-N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)acetamide
CID 91626367
(3aR,5S,7aS)-1-(5-fluoropyrimidin-2-yl)-N-propan-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 125226639
(3aR,5R,7aS)-1-(5-fluoropyrimidin-2-yl)-N-(2-methoxyethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 134690160
6-[[[2-Amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-3-one
CID 141126372
tert-butyl N-[(3R,6S)-6-[[2-(trifluoromethyl)pyrimidin-5-yl]methylcarbamoyl]oxan-3-yl]carbamate
CID 151966248
[(3R,6S)-6-[[2-(trifluoromethyl)pyrimidin-5-yl]methylcarbamoyl]oxan-3-yl]carbamic acid
CID 156440046
3-(2-Aminoethoxy)-1-[1-[5-(difluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one
CID 156733470
2-[(1R,2R)-2-aminocyclohexyl]oxy-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 172140210
(3aR,5S,7aR)-1-(5-fluoropyrimidin-2-yl)-N-propan-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97387705

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-amino-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]oxane-2-carboxamide?
The IUPAC name of (2S,5R)-5-amino-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]oxane-2-carboxamide (CID 142586810) is (2S,5R)-5-amino-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]oxane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-amino-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]oxane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-amino-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]oxane-2-carboxamide is N[C@@H]1CC[C@@H](C(=O)NCc2cnc(C(F)(F)F)nc2)OC1.
What is the InChIKey of (2S,5R)-5-amino-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]oxane-2-carboxamide?
The InChIKey is ZOPRXYWAYPFCPZ-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c13-12(14,15)11-18-4-7(5-19-11)3-17-10(20)9-2-1-8(16)6-21-9/h4-5,8-9H,1-3,6,16H2,(H,17,20)/t8-,9+/m1/s1.
What are the key properties of (2S,5R)-5-amino-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]oxane-2-carboxamide?
(2S,5R)-5-amino-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]oxane-2-carboxamide has a molecular weight of 304.27 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-amino-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]oxane-2-carboxamide is sourced from PubChem (CID 142586810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).