(2S,3R)-3-(2-chlorophenyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-oxomorpholine-2-carboxamide

C19H21ClN4O3 — CID 156584032

IUPAC(2S,3R)-3-(2-chlorophenyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-oxomorpholine-2-carboxamide
SMILESCc1cc(C)nc(CCNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)n1
InChIInChI=1S/C19H21ClN4O3/c1-11-9-12(2)23-15(22-11)7-8-21-19(26)18-17(24-16(25)10-27-18)13-5-3-4-6-14(13)20/h3-6,9,17-18H,7-8,10H2,1-2H3,(H,21,26)(H,24,25)/t17-,18+/m1/s1
InChIKeyGYWQXTXZTNKMLD-MSOLQXFVSA-N
MW388.86 g/mol
LogP1.66
Rot. Bonds5

About (2S,3R)-3-(2-chlorophenyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-oxomorpholine-2-carboxamide

(2S,3R)-3-(2-chlorophenyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-oxomorpholine-2-carboxamide (PubChem CID 156584032) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is (2S,3R)-3-(2-chlorophenyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-3-(2-chlorophenyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-oxomorpholine-2-carboxamide
PubChem CID156584032
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC Name(2S,3R)-3-(2-chlorophenyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-oxomorpholine-2-carboxamide
SMILESCc1cc(C)nc(CCNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)n1
InChIInChI=1S/C19H21ClN4O3/c1-11-9-12(2)23-15(22-11)7-8-21-19(26)18-17(24-16(25)10-27-18)13-5-3-4-6-14(13)20/h3-6,9,17-18H,7-8,10H2,1-2H3,(H,21,26)(H,24,25)/t17-,18+/m1/s1
InChIKeyGYWQXTXZTNKMLD-MSOLQXFVSA-N
XLogP1.66
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(2-chlorophenyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-3-(2-chlorophenyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-oxomorpholine-2-carboxamide (CID 156584032) is (2S,3R)-3-(2-chlorophenyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-3-(2-chlorophenyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-3-(2-chlorophenyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-oxomorpholine-2-carboxamide is Cc1cc(C)nc(CCNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)n1.
What is the InChIKey of (2S,3R)-3-(2-chlorophenyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-oxomorpholine-2-carboxamide?
The InChIKey is GYWQXTXZTNKMLD-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-11-9-12(2)23-15(22-11)7-8-21-19(26)18-17(24-16(25)10-27-18)13-5-3-4-6-14(13)20/h3-6,9,17-18H,7-8,10H2,1-2H3,(H,21,26)(H,24,25)/t17-,18+/m1/s1.
What are the key properties of (2S,3R)-3-(2-chlorophenyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-oxomorpholine-2-carboxamide?
(2S,3R)-3-(2-chlorophenyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-oxomorpholine-2-carboxamide has a molecular weight of 388.86 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(2-chlorophenyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 156584032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).