5-bromo-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide

C18H17BrN4O2 — CID 108771216

IUPAC5-bromo-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide
SMILESCCc1ccc(Nc2cc(C)ncn2)cc1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C18H17BrN4O2/c1-3-12-4-5-13(22-17-8-11(2)20-10-21-17)9-14(12)23-18(24)15-6-7-16(19)25-15/h4-10H,3H2,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyXTVFEHSSQSQWBG-UHFFFAOYSA-N
MW401.26 g/mol
LogP4.70
Rot. Bonds5

About 5-bromo-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide

5-bromo-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide (PubChem CID 108771216) has the molecular formula C18H17BrN4O2 and a molecular weight of 401.26 g/mol. Its IUPAC name is 5-bromo-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide
PubChem CID108771216
Molecular FormulaC18H17BrN4O2
Molecular Weight401.26 g/mol
Exact Mass400.05
IUPAC Name5-bromo-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide
SMILESCCc1ccc(Nc2cc(C)ncn2)cc1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C18H17BrN4O2/c1-3-12-4-5-13(22-17-8-11(2)20-10-21-17)9-14(12)23-18(24)15-6-7-16(19)25-15/h4-10H,3H2,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyXTVFEHSSQSQWBG-UHFFFAOYSA-N
XLogP4.70
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide
CID 108771194
N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-2,6-dimethoxybenzamide
CID 108771191
N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 108749311
N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-1,3-benzoxazole-5-carboxamide
CID 108811736
methyl 2-[[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]carbamoyl]benzoate
CID 108749414
N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-4-nitrobenzamide
CID 108771190
N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide
CID 108749320
2-(4-bromophenoxy)-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]propanamide
CID 108749456
5-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide
CID 108733255
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]acetamide
CID 108811616
2,4-dichloro-N-[2-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]anilino]-2-oxoethyl]benzamide
CID 108771206
N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108810493

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide (CID 108771216) is 5-bromo-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide is CCc1ccc(Nc2cc(C)ncn2)cc1NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide?
The InChIKey is XTVFEHSSQSQWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O2/c1-3-12-4-5-13(22-17-8-11(2)20-10-21-17)9-14(12)23-18(24)15-6-7-16(19)25-15/h4-10H,3H2,1-2H3,(H,23,24)(H,20,21,22).
What are the key properties of 5-bromo-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide?
5-bromo-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide has a molecular weight of 401.26 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 108771216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).