(2R)-2-methyl-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]morpholine-4-carboxamide

C18H22N4O2 — CID 96566193

IUPAC(2R)-2-methyl-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]morpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(-c3cncnc3)cc2)CCO1
InChIInChI=1S/C18H22N4O2/c1-13-11-22(7-8-24-13)18(23)21-14(2)15-3-5-16(6-4-15)17-9-19-12-20-10-17/h3-6,9-10,12-14H,7-8,11H2,1-2H3,(H,21,23)/t13-,14+/m1/s1
InChIKeyBLTSVQVBOHQACO-KGLIPLIRSA-N
MW326.40 g/mol
LogP2.63
Rot. Bonds3

About (2R)-2-methyl-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]morpholine-4-carboxamide

(2R)-2-methyl-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]morpholine-4-carboxamide (PubChem CID 96566193) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2R)-2-methyl-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]morpholine-4-carboxamide
PubChem CID96566193
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(2R)-2-methyl-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]morpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(-c3cncnc3)cc2)CCO1
InChIInChI=1S/C18H22N4O2/c1-13-11-22(7-8-24-13)18(23)21-14(2)15-3-5-16(6-4-15)17-9-19-12-20-10-17/h3-6,9-10,12-14H,7-8,11H2,1-2H3,(H,21,23)/t13-,14+/m1/s1
InChIKeyBLTSVQVBOHQACO-KGLIPLIRSA-N
XLogP2.63
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]piperazine-1-carboxamide
CID 71867499
(2S)-2-methyl-N-propan-2-ylmorpholine-4-carboxamide
CID 167135155
2-[(2R)-2-methylmorpholin-4-yl]-2-oxo-N-[(1R)-1-phenylethyl]acetamide
CID 125141946
(3R)-1-methyl-5-oxo-N-[(1R)-1-(4-pyrimidin-5-ylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 95906239
2-hydroxy-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]cyclopentane-1-carboxamide
CID 110016061
[5-(4-chlorophenyl)-3-pyridinyl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 136582281
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-methylmorpholin-4-yl]acetamide
CID 31502166
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-1,4-oxazepane-4-carboxamide
CID 146084708
N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-4-carboxamide
CID 71989743
(2S)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylmorpholine-4-carboxamide
CID 97186019
(2S)-2-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]morpholine-4-carboxamide
CID 95303634
(1R)-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]cyclohex-3-ene-1-carboxamide
CID 95906210

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]morpholine-4-carboxamide?
The IUPAC name of (2R)-2-methyl-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]morpholine-4-carboxamide (CID 96566193) is (2R)-2-methyl-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-methyl-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-methyl-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]morpholine-4-carboxamide is C[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(-c3cncnc3)cc2)CCO1.
What is the InChIKey of (2R)-2-methyl-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]morpholine-4-carboxamide?
The InChIKey is BLTSVQVBOHQACO-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-11-22(7-8-24-13)18(23)21-14(2)15-3-5-16(6-4-15)17-9-19-12-20-10-17/h3-6,9-10,12-14H,7-8,11H2,1-2H3,(H,21,23)/t13-,14+/m1/s1.
What are the key properties of (2R)-2-methyl-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]morpholine-4-carboxamide?
(2R)-2-methyl-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]morpholine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 96566193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).