5-bromo-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)furan-2-carboxamide

C15H17BrN4O3 — CID 91968599

IUPAC5-bromo-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)furan-2-carboxamide
SMILESCc1nc(N2CCOCC2)nc(C)c1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C15H17BrN4O3/c1-9-13(19-14(21)11-3-4-12(16)23-11)10(2)18-15(17-9)20-5-7-22-8-6-20/h3-4H,5-8H2,1-2H3,(H,19,21)
InChIKeyINTWMCOKXGBMIW-UHFFFAOYSA-N
MW381.23 g/mol
LogP2.54
Rot. Bonds3

About 5-bromo-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)furan-2-carboxamide

5-bromo-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)furan-2-carboxamide (PubChem CID 91968599) has the molecular formula C15H17BrN4O3 and a molecular weight of 381.23 g/mol. Its IUPAC name is 5-bromo-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)furan-2-carboxamide
PubChem CID91968599
Molecular FormulaC15H17BrN4O3
Molecular Weight381.23 g/mol
Exact Mass380.05
IUPAC Name5-bromo-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)furan-2-carboxamide
SMILESCc1nc(N2CCOCC2)nc(C)c1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C15H17BrN4O3/c1-9-13(19-14(21)11-3-4-12(16)23-11)10(2)18-15(17-9)20-5-7-22-8-6-20/h3-4H,5-8H2,1-2H3,(H,19,21)
InChIKeyINTWMCOKXGBMIW-UHFFFAOYSA-N
XLogP2.54
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-(2-morpholin-4-ylpyrimidin-5-yl)furan-2-carboxamide
CID 53164805
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-pyrrol-1-ylbenzamide
CID 122356909
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide
CID 122356869
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide
CID 122356821
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide
CID 122356550
2-chloro-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-fluorobenzamide
CID 91968602
1-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-methylphenyl)urea
CID 91968661
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-phenyloxane-4-carboxamide
CID 122356805
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-(3-methylphenyl)acetamide
CID 122356836
5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carboxamide
CID 1017993
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122356884
5-bromo-N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)furan-2-carboxamide;ethane
CID 142511638

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)furan-2-carboxamide (CID 91968599) is 5-bromo-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)furan-2-carboxamide is Cc1nc(N2CCOCC2)nc(C)c1NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)furan-2-carboxamide?
The InChIKey is INTWMCOKXGBMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O3/c1-9-13(19-14(21)11-3-4-12(16)23-11)10(2)18-15(17-9)20-5-7-22-8-6-20/h3-4H,5-8H2,1-2H3,(H,19,21).
What are the key properties of 5-bromo-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)furan-2-carboxamide?
5-bromo-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)furan-2-carboxamide has a molecular weight of 381.23 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)furan-2-carboxamide is sourced from PubChem (CID 91968599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).