methyl (6S)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylmorpholine-2-carboxylate

C14H19F3N4O3 — CID 133379698

IUPACmethyl (6S)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylmorpholine-2-carboxylate
SMILESCOC(=O)C1CN(c2nc(N(C)C)cc(C(F)(F)F)n2)C[C@H](C)O1
InChIInChI=1S/C14H19F3N4O3/c1-8-6-21(7-9(24-8)12(22)23-4)13-18-10(14(15,16)17)5-11(19-13)20(2)3/h5,8-9H,6-7H2,1-4H3/t8-,9?/m0/s1
InChIKeyIBRLRAAHLBGSCR-IENPIDJESA-N
MW348.33 g/mol
LogP1.33
Rot. Bonds3

About methyl (6S)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylmorpholine-2-carboxylate

methyl (6S)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylmorpholine-2-carboxylate (PubChem CID 133379698) has the molecular formula C14H19F3N4O3 and a molecular weight of 348.33 g/mol. Its IUPAC name is methyl (6S)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylmorpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl (6S)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylmorpholine-2-carboxylate
PubChem CID133379698
Molecular FormulaC14H19F3N4O3
Molecular Weight348.33 g/mol
Exact Mass348.14
IUPAC Namemethyl (6S)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylmorpholine-2-carboxylate
SMILESCOC(=O)C1CN(c2nc(N(C)C)cc(C(F)(F)F)n2)C[C@H](C)O1
InChIInChI=1S/C14H19F3N4O3/c1-8-6-21(7-9(24-8)12(22)23-4)13-18-10(14(15,16)17)5-11(19-13)20(2)3/h5,8-9H,6-7H2,1-4H3/t8-,9?/m0/s1
InChIKeyIBRLRAAHLBGSCR-IENPIDJESA-N
XLogP1.33
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 133274545
methyl (2R,6R)-4-(4-methoxypyrimidin-2-yl)-6-methylmorpholine-2-carboxylate
CID 122140004
methyl (2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholine-2-carboxylate
CID 156648946
1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylpiperidine-3-carboxamide
CID 133271070
5-[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 133497568
2-[3-(3,5-dimethoxyanilino)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133362299
N-(4-chlorophenyl)-2-[4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide
CID 133418094
2-[4-(2-fluoroanilino)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133330758
(3,4-difluorophenyl)-[4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 78857592
2-[2-(4-bromophenyl)morpholin-4-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133274501
2-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133316055
2-(2,3-dimethylthiomorpholin-4-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133309157

Frequently Asked Questions

What is the IUPAC name of methyl (6S)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylmorpholine-2-carboxylate?
The IUPAC name of methyl (6S)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylmorpholine-2-carboxylate (CID 133379698) is methyl (6S)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylmorpholine-2-carboxylate.
What is the SMILES notation for methyl (6S)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylmorpholine-2-carboxylate?
The canonical SMILES for methyl (6S)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylmorpholine-2-carboxylate is COC(=O)C1CN(c2nc(N(C)C)cc(C(F)(F)F)n2)C[C@H](C)O1.
What is the InChIKey of methyl (6S)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylmorpholine-2-carboxylate?
The InChIKey is IBRLRAAHLBGSCR-IENPIDJESA-N. The full InChI is InChI=1S/C14H19F3N4O3/c1-8-6-21(7-9(24-8)12(22)23-4)13-18-10(14(15,16)17)5-11(19-13)20(2)3/h5,8-9H,6-7H2,1-4H3/t8-,9?/m0/s1.
What are the key properties of methyl (6S)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylmorpholine-2-carboxylate?
methyl (6S)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylmorpholine-2-carboxylate has a molecular weight of 348.33 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6S)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylmorpholine-2-carboxylate is sourced from PubChem (CID 133379698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).