5-bromo-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]furan-2-carboxamide

C20H20BrN5O2 — CID 27478384

IUPAC5-bromo-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]furan-2-carboxamide
SMILESCc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)c3ccc(Br)o3)cc2)n1
InChIInChI=1S/C20H20BrN5O2/c1-13-12-18(26-10-2-3-11-26)25-20(22-13)24-15-6-4-14(5-7-15)23-19(27)16-8-9-17(21)28-16/h4-9,12H,2-3,10-11H2,1H3,(H,23,27)(H,22,24,25)
InChIKeyAEYHKGGGKBVGEH-UHFFFAOYSA-N
MW442.32 g/mol
LogP4.74
Rot. Bonds5

About 5-bromo-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]furan-2-carboxamide

5-bromo-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]furan-2-carboxamide (PubChem CID 27478384) has the molecular formula C20H20BrN5O2 and a molecular weight of 442.32 g/mol. Its IUPAC name is 5-bromo-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]furan-2-carboxamide
PubChem CID27478384
Molecular FormulaC20H20BrN5O2
Molecular Weight442.32 g/mol
Exact Mass441.08
IUPAC Name5-bromo-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]furan-2-carboxamide
SMILESCc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)c3ccc(Br)o3)cc2)n1
InChIInChI=1S/C20H20BrN5O2/c1-13-12-18(26-10-2-3-11-26)25-20(22-13)24-15-6-4-14(5-7-15)23-19(27)16-8-9-17(21)28-16/h4-9,12H,2-3,10-11H2,1H3,(H,23,27)(H,22,24,25)
InChIKeyAEYHKGGGKBVGEH-UHFFFAOYSA-N
XLogP4.74
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.32
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-bromo-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-{1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-5-yl}furan-2-carboxamide
CID 4898808
5-bromo-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}furan-2-carboxamide
CID 1407193
5-bromo-N-[6-[[(5-bromo-2-furanyl)-oxomethyl]amino]-2-pyridinyl]-2-furancarboxamide
CID 3236147
5-bromo-N-[2-(diethylamino)-4-methylquinolin-6-yl]furan-2-carboxamide
CID 9550320
N-(4-((4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl)amino)phenyl)furan-2-carboxamide
CID 44522249
5-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-2-furamide
CID 1017492
N-[1-(1H-benzimidazol-2-yl)butyl]-5-bromofuran-2-carboxamide
CID 4371866
N-(4-((4-(ethylamino)-6-methylpyrimidin-2-yl)amino)phenyl)furan-2-carboxamide
CID 44522257
5-bromo-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}furan-2-carboxamide
CID 1000819
(4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(5-bromofuran-2-yl)methanone
CID 7184080
5-bromo-N-(4-((4-(dimethylamino)-6-methylpyrimidin-2-yl)amino)phenyl)furan-2-carboxamide
CID 27478381
N-[3-[methyl-(4-pyrrolidin-1-ylquinazolin-2-yl)amino]propyl]furan-2-carboxamide
CID 44344731

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]furan-2-carboxamide (CID 27478384) is 5-bromo-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]furan-2-carboxamide is Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)c3ccc(Br)o3)cc2)n1.
What is the InChIKey of 5-bromo-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]furan-2-carboxamide?
The InChIKey is AEYHKGGGKBVGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN5O2/c1-13-12-18(26-10-2-3-11-26)25-20(22-13)24-15-6-4-14(5-7-15)23-19(27)16-8-9-17(21)28-16/h4-9,12H,2-3,10-11H2,1H3,(H,23,27)(H,22,24,25).
What are the key properties of 5-bromo-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]furan-2-carboxamide?
5-bromo-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]furan-2-carboxamide has a molecular weight of 442.32 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 27478384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).