1-[5-bromo-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-3-ethylurea

C14H21BrN4O2 — CID 68641098

IUPAC1-[5-bromo-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-3-ethylurea
SMILESCCNC(=O)Nc1cc(N2C[C@@H](C)O[C@@H](C)C2)c(Br)cn1
InChIInChI=1S/C14H21BrN4O2/c1-4-16-14(20)18-13-5-12(11(15)6-17-13)19-7-9(2)21-10(3)8-19/h5-6,9-10H,4,7-8H2,1-3H3,(H2,16,17,18,20)/t9-,10+
InChIKeyILPADHRJEXHTTO-AOOOYVTPSA-N
MW357.25 g/mol
LogP2.60
Rot. Bonds3

About 1-[5-bromo-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-3-ethylurea

1-[5-bromo-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-3-ethylurea (PubChem CID 68641098) has the molecular formula C14H21BrN4O2 and a molecular weight of 357.25 g/mol. Its IUPAC name is 1-[5-bromo-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-3-ethylurea.

Molecular Properties

Compound Name1-[5-bromo-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-3-ethylurea
PubChem CID68641098
Molecular FormulaC14H21BrN4O2
Molecular Weight357.25 g/mol
Exact Mass356.08
IUPAC Name1-[5-bromo-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-3-ethylurea
SMILESCCNC(=O)Nc1cc(N2C[C@@H](C)O[C@@H](C)C2)c(Br)cn1
InChIInChI=1S/C14H21BrN4O2/c1-4-16-14(20)18-13-5-12(11(15)6-17-13)19-7-9(2)21-10(3)8-19/h5-6,9-10H,4,7-8H2,1-3H3,(H2,16,17,18,20)/t9-,10+
InChIKeyILPADHRJEXHTTO-AOOOYVTPSA-N
XLogP2.60
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[5-bromo-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-3-ethylurea with MolForge

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Related Compounds

N-(5-bromo-2-pyridinyl)-2-(4-morpholinyl)acetamide
CID 1237386
[4-(5-Bromo-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 38274995
N-(5-bromopyridin-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 6467618
5-Bromo-(2-morpholinoethylamino)pyridine
CID 23438259
4-(5-Bromo-2-pyridinyl)morpholine-2-carboxamide
CID 72005277
5-Bromo-4-(morpholin-4-yl)pyridin-2-amine
CID 19903213
1-Ethyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47221085
1-Ethyl-3-(2-morpholin-4-yl-3-pyridinyl)urea
CID 47375906
N-isopropyl-N'-(2-morpholino-3-pyridyl)urea
CID 47375907
N-(5-bromo-2-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]acetamide
CID 33714004
N-[6-(dimethylamino)-3-pyridinyl]morpholine-4-carboxamide
CID 45803886
1-(1-Morpholin-4-ylpropan-2-yl)-3-pyridin-2-ylurea
CID 45831725

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-3-ethylurea?
The IUPAC name of 1-[5-bromo-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-3-ethylurea (CID 68641098) is 1-[5-bromo-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-3-ethylurea.
What is the SMILES notation for 1-[5-bromo-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-3-ethylurea?
The canonical SMILES for 1-[5-bromo-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-3-ethylurea is CCNC(=O)Nc1cc(N2C[C@@H](C)O[C@@H](C)C2)c(Br)cn1.
What is the InChIKey of 1-[5-bromo-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-3-ethylurea?
The InChIKey is ILPADHRJEXHTTO-AOOOYVTPSA-N. The full InChI is InChI=1S/C14H21BrN4O2/c1-4-16-14(20)18-13-5-12(11(15)6-17-13)19-7-9(2)21-10(3)8-19/h5-6,9-10H,4,7-8H2,1-3H3,(H2,16,17,18,20)/t9-,10+.
What are the key properties of 1-[5-bromo-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-3-ethylurea?
1-[5-bromo-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-3-ethylurea has a molecular weight of 357.25 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-3-ethylurea is sourced from PubChem (CID 68641098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).