benzyl 2-[3-chloro-2-methyl-5-[[(3S)-morpholin-3-yl]methylamino]-6-oxopyrazin-1-yl]acetate

C19H23ClN4O4 — CID 59900608

IUPACbenzyl 2-[3-chloro-2-methyl-5-[[(3S)-morpholin-3-yl]methylamino]-6-oxopyrazin-1-yl]acetate
SMILESCc1c(Cl)nc(NC[C@H]2COCCN2)c(=O)n1CC(=O)OCc1ccccc1
InChIInChI=1S/C19H23ClN4O4/c1-13-17(20)23-18(22-9-15-12-27-8-7-21-15)19(26)24(13)10-16(25)28-11-14-5-3-2-4-6-14/h2-6,15,21H,7-12H2,1H3,(H,22,23)/t15-/m0/s1
InChIKeyXCXHBUZFEXAOPX-HNNXBMFYSA-N
MW406.87 g/mol
LogP1.35
Rot. Bonds7

About benzyl 2-[3-chloro-2-methyl-5-[[(3S)-morpholin-3-yl]methylamino]-6-oxopyrazin-1-yl]acetate

benzyl 2-[3-chloro-2-methyl-5-[[(3S)-morpholin-3-yl]methylamino]-6-oxopyrazin-1-yl]acetate (PubChem CID 59900608) has the molecular formula C19H23ClN4O4 and a molecular weight of 406.87 g/mol. Its IUPAC name is benzyl 2-[3-chloro-2-methyl-5-[[(3S)-morpholin-3-yl]methylamino]-6-oxopyrazin-1-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[3-chloro-2-methyl-5-[[(3S)-morpholin-3-yl]methylamino]-6-oxopyrazin-1-yl]acetate
PubChem CID59900608
Molecular FormulaC19H23ClN4O4
Molecular Weight406.87 g/mol
Exact Mass406.14
IUPAC Namebenzyl 2-[3-chloro-2-methyl-5-[[(3S)-morpholin-3-yl]methylamino]-6-oxopyrazin-1-yl]acetate
SMILESCc1c(Cl)nc(NC[C@H]2COCCN2)c(=O)n1CC(=O)OCc1ccccc1
InChIInChI=1S/C19H23ClN4O4/c1-13-17(20)23-18(22-9-15-12-27-8-7-21-15)19(26)24(13)10-16(25)28-11-14-5-3-2-4-6-14/h2-6,15,21H,7-12H2,1H3,(H,22,23)/t15-/m0/s1
InChIKeyXCXHBUZFEXAOPX-HNNXBMFYSA-N
XLogP1.35
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze benzyl 2-[3-chloro-2-methyl-5-[[(3S)-morpholin-3-yl]methylamino]-6-oxopyrazin-1-yl]acetate with MolForge

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Related Compounds

benzyl 2-[3-chloro-5-(2-cyclopropylethylamino)-2-methyl-6-oxopyrazin-1-yl]acetate
CID 54269425
benzyl 2-[3-chloro-5-[(1-cyclopentylpyrrolidin-1-ium-1-yl)methylamino]-2-methyl-6-oxopyrazin-1-yl]acetate
CID 18470942
benzyl 2-(3,5-dichloro-2-methyl-6-oxopyrazin-1-yl)acetate
CID 10663926
benzyl 2-[3-chloro-2-methyl-6-oxo-5-(1-phenylethylamino)pyrazin-1-yl]acetate
CID 57241169
benzyl 2-[3-chloro-5-[[1-(dimethylamino)-2-phenylpropyl]amino]-2-methyl-6-oxopyrazin-1-yl]acetate
CID 18470849
benzyl 2-[5-chloro-3-(ethylamino)-2-oxo-6-phenylpyrazin-1-yl]acetate
CID 11143781
benzyl N-(morpholin-3-ylmethyl)carbamate;hydrochloride
CID 137346986
benzyl 2-[3-chloro-2-(4-chlorophenyl)-6-oxo-5-(2-phenylethylamino)pyrazin-1-yl]acetate
CID 11060264
6-methyl-2-(morpholin-3-ylmethylamino)pyridine-3-carboxamide
CID 103549173
benzyl (3S)-morpholine-3-carboxylate;hydrochloride
CID 46839500
benzyl (3R)-morpholine-3-carboxylate;hydrochloride
CID 46839509
1-benzyl-5-chloro-6-methyl-3-(methylamino)pyrazin-2-one
CID 142172858

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[3-chloro-2-methyl-5-[[(3S)-morpholin-3-yl]methylamino]-6-oxopyrazin-1-yl]acetate?
The IUPAC name of benzyl 2-[3-chloro-2-methyl-5-[[(3S)-morpholin-3-yl]methylamino]-6-oxopyrazin-1-yl]acetate (CID 59900608) is benzyl 2-[3-chloro-2-methyl-5-[[(3S)-morpholin-3-yl]methylamino]-6-oxopyrazin-1-yl]acetate.
What is the SMILES notation for benzyl 2-[3-chloro-2-methyl-5-[[(3S)-morpholin-3-yl]methylamino]-6-oxopyrazin-1-yl]acetate?
The canonical SMILES for benzyl 2-[3-chloro-2-methyl-5-[[(3S)-morpholin-3-yl]methylamino]-6-oxopyrazin-1-yl]acetate is Cc1c(Cl)nc(NC[C@H]2COCCN2)c(=O)n1CC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[3-chloro-2-methyl-5-[[(3S)-morpholin-3-yl]methylamino]-6-oxopyrazin-1-yl]acetate?
The InChIKey is XCXHBUZFEXAOPX-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23ClN4O4/c1-13-17(20)23-18(22-9-15-12-27-8-7-21-15)19(26)24(13)10-16(25)28-11-14-5-3-2-4-6-14/h2-6,15,21H,7-12H2,1H3,(H,22,23)/t15-/m0/s1.
What are the key properties of benzyl 2-[3-chloro-2-methyl-5-[[(3S)-morpholin-3-yl]methylamino]-6-oxopyrazin-1-yl]acetate?
benzyl 2-[3-chloro-2-methyl-5-[[(3S)-morpholin-3-yl]methylamino]-6-oxopyrazin-1-yl]acetate has a molecular weight of 406.87 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[3-chloro-2-methyl-5-[[(3S)-morpholin-3-yl]methylamino]-6-oxopyrazin-1-yl]acetate is sourced from PubChem (CID 59900608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).