5-bromo-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide

C24H22BrN5O2 — CID 46324045

IUPAC5-bromo-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide
SMILESCc1ccc(Nc2nc(C)c(NC(=O)c3ccc(Br)o3)c(Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C24H22BrN5O2/c1-14-4-8-17(9-5-14)27-22-21(29-23(31)19-12-13-20(25)32-19)16(3)26-24(30-22)28-18-10-6-15(2)7-11-18/h4-13H,1-3H3,(H,29,31)(H2,26,27,28,30)
InChIKeyAQQGIRSLXGQMLW-UHFFFAOYSA-N
MW492.38 g/mol
LogP6.50
Rot. Bonds6

About 5-bromo-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide

5-bromo-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide (PubChem CID 46324045) has the molecular formula C24H22BrN5O2 and a molecular weight of 492.38 g/mol. Its IUPAC name is 5-bromo-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide
PubChem CID46324045
Molecular FormulaC24H22BrN5O2
Molecular Weight492.38 g/mol
Exact Mass491.10
IUPAC Name5-bromo-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide
SMILESCc1ccc(Nc2nc(C)c(NC(=O)c3ccc(Br)o3)c(Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C24H22BrN5O2/c1-14-4-8-17(9-5-14)27-22-21(29-23(31)19-12-13-20(25)32-19)16(3)26-24(30-22)28-18-10-6-15(2)7-11-18/h4-13H,1-3H3,(H,29,31)(H2,26,27,28,30)
InChIKeyAQQGIRSLXGQMLW-UHFFFAOYSA-N
XLogP6.50
TPSA92.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.38
LogP ≤ 56.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide
CID 20932940
2,2-dimethyl-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]propanamide
CID 35397696
N-[2,4-bis(4-methoxyanilino)-6-methylpyrimidin-5-yl]furan-2-carboxamide
CID 46324048
N-[2,4-bis(4-methoxyanilino)-6-methylpyrimidin-5-yl]-3-methylbenzamide
CID 46324050
5-bromo-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]furan-2-carboxamide
CID 27478387
5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
N-[2,4-bis(4-ethoxyanilino)-6-methylpyrimidin-5-yl]benzamide
CID 22433684
5-bromo-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)furan-2-carboxamide
CID 91968599
5-bromo-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]furan-2-carboxamide
CID 60729952
5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 730613
N-(4-aminophenyl)-5-bromofuran-2-carboxamide;N-(4-aminophenyl)-3-methylfuran-2-carboxamide
CID 159467877
[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 5-bromofuran-2-carboxylate
CID 9148582

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide (CID 46324045) is 5-bromo-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide is Cc1ccc(Nc2nc(C)c(NC(=O)c3ccc(Br)o3)c(Nc3ccc(C)cc3)n2)cc1.
What is the InChIKey of 5-bromo-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide?
The InChIKey is AQQGIRSLXGQMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN5O2/c1-14-4-8-17(9-5-14)27-22-21(29-23(31)19-12-13-20(25)32-19)16(3)26-24(30-22)28-18-10-6-15(2)7-11-18/h4-13H,1-3H3,(H,29,31)(H2,26,27,28,30).
What are the key properties of 5-bromo-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide?
5-bromo-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide has a molecular weight of 492.38 g/mol, XLogP of 6.50, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide is sourced from PubChem (CID 46324045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).