6-[(6-bromoimidazo[1,2-a]pyrimidin-3-yl)methyl]quinoline;5-bromopyrimidine;2-chloro-3-quinolin-6-ylpropanal;molecular nitrogen;1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethanone;[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]urea

C69H55Br2ClN20O3 — CID 172960990

IUPAC6-[(6-bromoimidazo[1,2-a]pyrimidin-3-yl)methyl]quinoline;5-bromopyrimidine;2-chloro-3-quinolin-6-ylpropanal;molecular nitrogen;1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethanone;[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]urea
SMILESBrc1cnc2ncc(Cc3ccc4ncccc4c3)n2c1.Brc1cncnc1.C/C(=N\NC(N)=O)c1cnc2ncc(Cc3ccc4ncccc4c3)n2c1.CC(=O)c1cnc2ncc(Cc3ccc4ncccc4c3)n2c1.N#N.O=CC(Cl)Cc1ccc2ncccc2c1
InChIInChI=1S/C19H17N7O.C18H14N4O.C16H11BrN4.C12H10ClNO.C4H3BrN2.N2/c1-12(24-25-18(20)27)15-9-22-19-23-10-16(26(19)11-15)8-13-4-5-17-14(7-13)3-2-6-21-17;1-12(23)15-9-20-18-21-10-16(22(18)11-15)8-13-4-5-17-14(7-13)3-2-6-19-17;17-13-8-19-16-20-9-14(21(16)10-13)7-11-3-4-15-12(6-11)2-1-5-18-15;13-11(8-15)7-9-3-4-12-10(6-9)2-1-5-14-12;5-4-1-6-3-7-2-4;1-2/h2-7,9-11H,8H2,1H3,(H3,20,25,27);2-7,9-11H,8H2,1H3;1-6,8-10H,7H2;1-6,8,11H,7H2;1-3H;/b24-12+;;;;;
InChIKeyAJJOYQJBWPLKCA-VKFBFOSTSA-N
MW1407.60 g/mol
LogP12.82
Rot. Bonds12

About 6-[(6-bromoimidazo[1,2-a]pyrimidin-3-yl)methyl]quinoline;5-bromopyrimidine;2-chloro-3-quinolin-6-ylpropanal;molecular nitrogen;1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethanone;[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]urea

6-[(6-bromoimidazo[1,2-a]pyrimidin-3-yl)methyl]quinoline;5-bromopyrimidine;2-chloro-3-quinolin-6-ylpropanal;molecular nitrogen;1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethanone;[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]urea (PubChem CID 172960990) has the molecular formula C69H55Br2ClN20O3 and a molecular weight of 1407.60 g/mol. Its IUPAC name is 6-[(6-bromoimidazo[1,2-a]pyrimidin-3-yl)methyl]quinoline;5-bromopyrimidine;2-chloro-3-quinolin-6-ylpropanal;molecular nitrogen;1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethanone;[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]urea.

Molecular Properties

Compound Name6-[(6-bromoimidazo[1,2-a]pyrimidin-3-yl)methyl]quinoline;5-bromopyrimidine;2-chloro-3-quinolin-6-ylpropanal;molecular nitrogen;1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethanone;[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]urea
PubChem CID172960990
Molecular FormulaC69H55Br2ClN20O3
Molecular Weight1407.60 g/mol
Exact Mass1404.28
IUPAC Name6-[(6-bromoimidazo[1,2-a]pyrimidin-3-yl)methyl]quinoline;5-bromopyrimidine;2-chloro-3-quinolin-6-ylpropanal;molecular nitrogen;1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethanone;[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]urea
SMILESBrc1cnc2ncc(Cc3ccc4ncccc4c3)n2c1.Brc1cncnc1.C/C(=N\NC(N)=O)c1cnc2ncc(Cc3ccc4ncccc4c3)n2c1.CC(=O)c1cnc2ncc(Cc3ccc4ncccc4c3)n2c1.N#N.O=CC(Cl)Cc1ccc2ncccc2c1
InChIInChI=1S/C19H17N7O.C18H14N4O.C16H11BrN4.C12H10ClNO.C4H3BrN2.N2/c1-12(24-25-18(20)27)15-9-22-19-23-10-16(26(19)11-15)8-13-4-5-17-14(7-13)3-2-6-21-17;1-12(23)15-9-20-18-21-10-16(22(18)11-15)8-13-4-5-17-14(7-13)3-2-6-19-17;17-13-8-19-16-20-9-14(21(16)10-13)7-11-3-4-15-12(6-11)2-1-5-18-15;13-11(8-15)7-9-3-4-12-10(6-9)2-1-5-14-12;5-4-1-6-3-7-2-4;1-2/h2-7,9-11H,8H2,1H3,(H3,20,25,27);2-7,9-11H,8H2,1H3;1-6,8-10H,7H2;1-6,8,11H,7H2;1-3H;/b24-12+;;;;;
InChIKeyAJJOYQJBWPLKCA-VKFBFOSTSA-N
XLogP12.82
TPSA317.11 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001407.60
LogP ≤ 512.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[(6-bromoimidazo[1,2-a]pyrimidin-3-yl)methyl]quinoline;5-bromopyrimidine;2-chloro-3-quinolin-6-ylpropanal;molecular nitrogen;1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethanone;[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]urea with MolForge

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Related Compounds

2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]oxyethanol
CID 58190524
[1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]urea
CID 78153620
6-[(6-bromo-7-chloroimidazo[1,2-a]pyridin-3-yl)methyl]quinoline
CID 141330387
1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanol
CID 81444006
2-fluoro-N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzamide
CID 122179445
4-chloro-N-(quinolin-6-ylmethyl)butan-1-amine
CID 106844355
2-chloro-3-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid
CID 67125256
2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid;dihydrochloride
CID 67027449
2-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide
CID 71667099
2-[[2-chloro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methylamino]ethyl 2-methylpropanoate
CID 140667566
N-[(6-chloroimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118665343
2-fluoro-N-propyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide
CID 134566434

Frequently Asked Questions

What is the IUPAC name of 6-[(6-bromoimidazo[1,2-a]pyrimidin-3-yl)methyl]quinoline;5-bromopyrimidine;2-chloro-3-quinolin-6-ylpropanal;molecular nitrogen;1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethanone;[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]urea?
The IUPAC name of 6-[(6-bromoimidazo[1,2-a]pyrimidin-3-yl)methyl]quinoline;5-bromopyrimidine;2-chloro-3-quinolin-6-ylpropanal;molecular nitrogen;1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethanone;[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]urea (CID 172960990) is 6-[(6-bromoimidazo[1,2-a]pyrimidin-3-yl)methyl]quinoline;5-bromopyrimidine;2-chloro-3-quinolin-6-ylpropanal;molecular nitrogen;1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethanone;[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]urea.
What is the SMILES notation for 6-[(6-bromoimidazo[1,2-a]pyrimidin-3-yl)methyl]quinoline;5-bromopyrimidine;2-chloro-3-quinolin-6-ylpropanal;molecular nitrogen;1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethanone;[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]urea?
The canonical SMILES for 6-[(6-bromoimidazo[1,2-a]pyrimidin-3-yl)methyl]quinoline;5-bromopyrimidine;2-chloro-3-quinolin-6-ylpropanal;molecular nitrogen;1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethanone;[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]urea is Brc1cnc2ncc(Cc3ccc4ncccc4c3)n2c1.Brc1cncnc1.C/C(=N\NC(N)=O)c1cnc2ncc(Cc3ccc4ncccc4c3)n2c1.CC(=O)c1cnc2ncc(Cc3ccc4ncccc4c3)n2c1.N#N.O=CC(Cl)Cc1ccc2ncccc2c1.
What is the InChIKey of 6-[(6-bromoimidazo[1,2-a]pyrimidin-3-yl)methyl]quinoline;5-bromopyrimidine;2-chloro-3-quinolin-6-ylpropanal;molecular nitrogen;1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethanone;[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]urea?
The InChIKey is AJJOYQJBWPLKCA-VKFBFOSTSA-N. The full InChI is InChI=1S/C19H17N7O.C18H14N4O.C16H11BrN4.C12H10ClNO.C4H3BrN2.N2/c1-12(24-25-18(20)27)15-9-22-19-23-10-16(26(19)11-15)8-13-4-5-17-14(7-13)3-2-6-21-17;1-12(23)15-9-20-18-21-10-16(22(18)11-15)8-13-4-5-17-14(7-13)3-2-6-19-17;17-13-8-19-16-20-9-14(21(16)10-13)7-11-3-4-15-12(6-11)2-1-5-18-15;13-11(8-15)7-9-3-4-12-10(6-9)2-1-5-14-12;5-4-1-6-3-7-2-4;1-2/h2-7,9-11H,8H2,1H3,(H3,20,25,27);2-7,9-11H,8H2,1H3;1-6,8-10H,7H2;1-6,8,11H,7H2;1-3H;/b24-12+;;;;;.
What are the key properties of 6-[(6-bromoimidazo[1,2-a]pyrimidin-3-yl)methyl]quinoline;5-bromopyrimidine;2-chloro-3-quinolin-6-ylpropanal;molecular nitrogen;1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethanone;[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]urea?
6-[(6-bromoimidazo[1,2-a]pyrimidin-3-yl)methyl]quinoline;5-bromopyrimidine;2-chloro-3-quinolin-6-ylpropanal;molecular nitrogen;1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethanone;[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]urea has a molecular weight of 1407.60 g/mol, XLogP of 12.82, 12 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-bromoimidazo[1,2-a]pyrimidin-3-yl)methyl]quinoline;5-bromopyrimidine;2-chloro-3-quinolin-6-ylpropanal;molecular nitrogen;1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethanone;[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]urea is sourced from PubChem (CID 172960990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).