2-bromo-5-methylpyridine;tert-butyl N-[2-(5-methyl-2-pyridinyl)ethyl]carbamate;2-chloro-5-methylpyridine;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;1,3-dimethyl-7-[5-(5-methyl-2-pyridinyl)-2-oxopentyl]purine-2,6-dione;2-(5-methyl-2-pyridinyl)ethanamine

C60H75BrClN15O9 — CID 157314152

IUPAC2-bromo-5-methylpyridine;tert-butyl N-[2-(5-methyl-2-pyridinyl)ethyl]carbamate;2-chloro-5-methylpyridine;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;1,3-dimethyl-7-[5-(5-methyl-2-pyridinyl)-2-oxopentyl]purine-2,6-dione;2-(5-methyl-2-pyridinyl)ethanamine
SMILESCc1ccc(Br)nc1.Cc1ccc(CCCC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc1.Cc1ccc(CCN)nc1.Cc1ccc(CCNC(=O)OC(C)(C)C)nc1.Cc1ccc(Cl)nc1.Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O
InChIInChI=1S/C18H21N5O3.C13H20N2O2.C9H10N4O4.C8H12N2.C6H6BrN.C6H6ClN/c1-12-7-8-13(19-9-12)5-4-6-14(24)10-23-11-20-16-15(23)17(25)22(3)18(26)21(16)2;1-10-5-6-11(15-9-10)7-8-14-12(16)17-13(2,3)4;1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15;1-7-2-3-8(4-5-9)10-6-7;2*1-5-2-3-6(7)8-4-5/h7-9,11H,4-6,10H2,1-3H3;5-6,9H,7-8H2,1-4H3,(H,14,16);4H,3H2,1-2H3,(H,14,15);2-3,6H,4-5,9H2,1H3;2*2-4H,1H3
InChIKeyBDJUDPREXFRKTD-UHFFFAOYSA-N
MW1265.71 g/mol
LogP6.79
Rot. Bonds13

About 2-bromo-5-methylpyridine;tert-butyl N-[2-(5-methyl-2-pyridinyl)ethyl]carbamate;2-chloro-5-methylpyridine;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;1,3-dimethyl-7-[5-(5-methyl-2-pyridinyl)-2-oxopentyl]purine-2,6-dione;2-(5-methyl-2-pyridinyl)ethanamine

2-bromo-5-methylpyridine;tert-butyl N-[2-(5-methyl-2-pyridinyl)ethyl]carbamate;2-chloro-5-methylpyridine;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;1,3-dimethyl-7-[5-(5-methyl-2-pyridinyl)-2-oxopentyl]purine-2,6-dione;2-(5-methyl-2-pyridinyl)ethanamine (PubChem CID 157314152) has the molecular formula C60H75BrClN15O9 and a molecular weight of 1265.71 g/mol. Its IUPAC name is 2-bromo-5-methylpyridine;tert-butyl N-[2-(5-methyl-2-pyridinyl)ethyl]carbamate;2-chloro-5-methylpyridine;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;1,3-dimethyl-7-[5-(5-methyl-2-pyridinyl)-2-oxopentyl]purine-2,6-dione;2-(5-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-bromo-5-methylpyridine;tert-butyl N-[2-(5-methyl-2-pyridinyl)ethyl]carbamate;2-chloro-5-methylpyridine;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;1,3-dimethyl-7-[5-(5-methyl-2-pyridinyl)-2-oxopentyl]purine-2,6-dione;2-(5-methyl-2-pyridinyl)ethanamine
PubChem CID157314152
Molecular FormulaC60H75BrClN15O9
Molecular Weight1265.71 g/mol
Exact Mass1263.47
IUPAC Name2-bromo-5-methylpyridine;tert-butyl N-[2-(5-methyl-2-pyridinyl)ethyl]carbamate;2-chloro-5-methylpyridine;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;1,3-dimethyl-7-[5-(5-methyl-2-pyridinyl)-2-oxopentyl]purine-2,6-dione;2-(5-methyl-2-pyridinyl)ethanamine
SMILESCc1ccc(Br)nc1.Cc1ccc(CCCC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc1.Cc1ccc(CCN)nc1.Cc1ccc(CCNC(=O)OC(C)(C)C)nc1.Cc1ccc(Cl)nc1.Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O
InChIInChI=1S/C18H21N5O3.C13H20N2O2.C9H10N4O4.C8H12N2.C6H6BrN.C6H6ClN/c1-12-7-8-13(19-9-12)5-4-6-14(24)10-23-11-20-16-15(23)17(25)22(3)18(26)21(16)2;1-10-5-6-11(15-9-10)7-8-14-12(16)17-13(2,3)4;1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15;1-7-2-3-8(4-5-9)10-6-7;2*1-5-2-3-6(7)8-4-5/h7-9,11H,4-6,10H2,1-3H3;5-6,9H,7-8H2,1-4H3,(H,14,16);4H,3H2,1-2H3,(H,14,15);2-3,6H,4-5,9H2,1H3;2*2-4H,1H3
InChIKeyBDJUDPREXFRKTD-UHFFFAOYSA-N
XLogP6.79
TPSA306.81 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds13
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001265.71
LogP ≤ 56.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-bromo-5-methylpyridine;tert-butyl N-[2-(5-methyl-2-pyridinyl)ethyl]carbamate;2-chloro-5-methylpyridine;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;1,3-dimethyl-7-[5-(5-methyl-2-pyridinyl)-2-oxopentyl]purine-2,6-dione;2-(5-methyl-2-pyridinyl)ethanamine with MolForge

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Related Compounds

2-(4-chlorophenyl)ethanamine;7-[5-(4-chlorophenyl)-2-oxopentyl]-1,3-dimethylpurine-2,6-dione;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid
CID 157154701
tert-butyl N-[4-[2-(5-methyl-2-pyridinyl)ethylamino]butyl]carbamate
CID 68888242
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide;4-propan-2-ylaniline
CID 161447543
N-(1-tert-butylpyrazol-4-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 86860531
tert-butyl N-[7-(5-fluoro-6-oxopyrimidin-1-yl)-6-oxoheptyl]carbamate
CID 134356569
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
CID 3677098
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-phenoxyethyl)acetamide
CID 27234230
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,2-diphenylpropyl)acetamide;methane
CID 161164511
methyl 6-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]hexanoate
CID 3771583
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;1,3-dimethyl-7-(2-oxopropyl)purine-2,6-dione;iodomethane;methane;vanadium
CID 165109860
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3,5-dimethylphenyl)acetamide
CID 718049
N-tert-butyl-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
CID 6458777

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methylpyridine;tert-butyl N-[2-(5-methyl-2-pyridinyl)ethyl]carbamate;2-chloro-5-methylpyridine;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;1,3-dimethyl-7-[5-(5-methyl-2-pyridinyl)-2-oxopentyl]purine-2,6-dione;2-(5-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 2-bromo-5-methylpyridine;tert-butyl N-[2-(5-methyl-2-pyridinyl)ethyl]carbamate;2-chloro-5-methylpyridine;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;1,3-dimethyl-7-[5-(5-methyl-2-pyridinyl)-2-oxopentyl]purine-2,6-dione;2-(5-methyl-2-pyridinyl)ethanamine (CID 157314152) is 2-bromo-5-methylpyridine;tert-butyl N-[2-(5-methyl-2-pyridinyl)ethyl]carbamate;2-chloro-5-methylpyridine;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;1,3-dimethyl-7-[5-(5-methyl-2-pyridinyl)-2-oxopentyl]purine-2,6-dione;2-(5-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-bromo-5-methylpyridine;tert-butyl N-[2-(5-methyl-2-pyridinyl)ethyl]carbamate;2-chloro-5-methylpyridine;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;1,3-dimethyl-7-[5-(5-methyl-2-pyridinyl)-2-oxopentyl]purine-2,6-dione;2-(5-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 2-bromo-5-methylpyridine;tert-butyl N-[2-(5-methyl-2-pyridinyl)ethyl]carbamate;2-chloro-5-methylpyridine;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;1,3-dimethyl-7-[5-(5-methyl-2-pyridinyl)-2-oxopentyl]purine-2,6-dione;2-(5-methyl-2-pyridinyl)ethanamine is Cc1ccc(Br)nc1.Cc1ccc(CCCC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc1.Cc1ccc(CCN)nc1.Cc1ccc(CCNC(=O)OC(C)(C)C)nc1.Cc1ccc(Cl)nc1.Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O.
What is the InChIKey of 2-bromo-5-methylpyridine;tert-butyl N-[2-(5-methyl-2-pyridinyl)ethyl]carbamate;2-chloro-5-methylpyridine;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;1,3-dimethyl-7-[5-(5-methyl-2-pyridinyl)-2-oxopentyl]purine-2,6-dione;2-(5-methyl-2-pyridinyl)ethanamine?
The InChIKey is BDJUDPREXFRKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3.C13H20N2O2.C9H10N4O4.C8H12N2.C6H6BrN.C6H6ClN/c1-12-7-8-13(19-9-12)5-4-6-14(24)10-23-11-20-16-15(23)17(25)22(3)18(26)21(16)2;1-10-5-6-11(15-9-10)7-8-14-12(16)17-13(2,3)4;1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15;1-7-2-3-8(4-5-9)10-6-7;2*1-5-2-3-6(7)8-4-5/h7-9,11H,4-6,10H2,1-3H3;5-6,9H,7-8H2,1-4H3,(H,14,16);4H,3H2,1-2H3,(H,14,15);2-3,6H,4-5,9H2,1H3;2*2-4H,1H3.
What are the key properties of 2-bromo-5-methylpyridine;tert-butyl N-[2-(5-methyl-2-pyridinyl)ethyl]carbamate;2-chloro-5-methylpyridine;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;1,3-dimethyl-7-[5-(5-methyl-2-pyridinyl)-2-oxopentyl]purine-2,6-dione;2-(5-methyl-2-pyridinyl)ethanamine?
2-bromo-5-methylpyridine;tert-butyl N-[2-(5-methyl-2-pyridinyl)ethyl]carbamate;2-chloro-5-methylpyridine;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;1,3-dimethyl-7-[5-(5-methyl-2-pyridinyl)-2-oxopentyl]purine-2,6-dione;2-(5-methyl-2-pyridinyl)ethanamine has a molecular weight of 1265.71 g/mol, XLogP of 6.79, 13 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methylpyridine;tert-butyl N-[2-(5-methyl-2-pyridinyl)ethyl]carbamate;2-chloro-5-methylpyridine;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;1,3-dimethyl-7-[5-(5-methyl-2-pyridinyl)-2-oxopentyl]purine-2,6-dione;2-(5-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 157314152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).