5-[[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-[(3S)-pyrrolidin-3-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C19H31N5O4 — CID 129324018

IUPAC5-[[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-[(3S)-pyrrolidin-3-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESC[C@@H]1CN(C(=O)CN(Cc2cn(C)c(=O)n(C)c2=O)[C@H]2CCNC2)C[C@H](C)O1
InChIInChI=1S/C19H31N5O4/c1-13-8-24(9-14(2)28-13)17(25)12-23(16-5-6-20-7-16)11-15-10-21(3)19(27)22(4)18(15)26/h10,13-14,16,20H,5-9,11-12H2,1-4H3/t13-,14+,16-/m0/s1
InChIKeyHNSGSYZZRKZEHE-LZWOXQAQSA-N
MW393.49 g/mol
LogP-1.12
Rot. Bonds5

About 5-[[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-[(3S)-pyrrolidin-3-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-[(3S)-pyrrolidin-3-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 129324018) has the molecular formula C19H31N5O4 and a molecular weight of 393.49 g/mol. Its IUPAC name is 5-[[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-[(3S)-pyrrolidin-3-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-[(3S)-pyrrolidin-3-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID129324018
Molecular FormulaC19H31N5O4
Molecular Weight393.49 g/mol
Exact Mass393.24
IUPAC Name5-[[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-[(3S)-pyrrolidin-3-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESC[C@@H]1CN(C(=O)CN(Cc2cn(C)c(=O)n(C)c2=O)[C@H]2CCNC2)C[C@H](C)O1
InChIInChI=1S/C19H31N5O4/c1-13-8-24(9-14(2)28-13)17(25)12-23(16-5-6-20-7-16)11-15-10-21(3)19(27)22(4)18(15)26/h10,13-14,16,20H,5-9,11-12H2,1-4H3/t13-,14+,16-/m0/s1
InChIKeyHNSGSYZZRKZEHE-LZWOXQAQSA-N
XLogP-1.12
TPSA88.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-[(3S)-pyrrolidin-3-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione with MolForge

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Related Compounds

1,3-dimethyl-5-[[[(3S)-pyrrolidin-3-yl]-(thiophen-3-ylmethyl)amino]methyl]pyrimidine-2,4-dione
CID 129334637
5-[[1-benzofuran-2-ylmethyl(pyrrolidin-3-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 128997145
2-[azetidin-3-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 66187363
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 1121974
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 1121972
5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 7424377
1-(4-methylpiperidin-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone
CID 55203821
1-(2,6-dimethylmorpholin-4-yl)-2-piperidin-4-ylethanone
CID 24711054
2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]-1-piperazin-1-ylethanone
CID 119915244
5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 7424497
5-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-1,3-dimethyl-6-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 7424409
2-[methyl(pyrrolidin-3-yl)amino]-1-morpholin-4-ylethanone
CID 63301630

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-[(3S)-pyrrolidin-3-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-[(3S)-pyrrolidin-3-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 129324018) is 5-[[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-[(3S)-pyrrolidin-3-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-[(3S)-pyrrolidin-3-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-[(3S)-pyrrolidin-3-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is C[C@@H]1CN(C(=O)CN(Cc2cn(C)c(=O)n(C)c2=O)[C@H]2CCNC2)C[C@H](C)O1.
What is the InChIKey of 5-[[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-[(3S)-pyrrolidin-3-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is HNSGSYZZRKZEHE-LZWOXQAQSA-N. The full InChI is InChI=1S/C19H31N5O4/c1-13-8-24(9-14(2)28-13)17(25)12-23(16-5-6-20-7-16)11-15-10-21(3)19(27)22(4)18(15)26/h10,13-14,16,20H,5-9,11-12H2,1-4H3/t13-,14+,16-/m0/s1.
What are the key properties of 5-[[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-[(3S)-pyrrolidin-3-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-[(3S)-pyrrolidin-3-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 393.49 g/mol, XLogP of -1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-[(3S)-pyrrolidin-3-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 129324018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).