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

C24H23N5O2 — CID 20932940

IUPACN-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide
SMILESCc1ccc(Nc2nc(C)c(NC(=O)c3ccco3)c(Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C24H23N5O2/c1-15-6-10-18(11-7-15)26-22-21(28-23(30)20-5-4-14-31-20)17(3)25-24(29-22)27-19-12-8-16(2)9-13-19/h4-14H,1-3H3,(H,28,30)(H2,25,26,27,29)
InChIKeyNPXZROQIAHEQBC-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.73
Rot. Bonds6

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

N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide (PubChem CID 20932940) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide
PubChem CID20932940
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide
SMILESCc1ccc(Nc2nc(C)c(NC(=O)c3ccco3)c(Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C24H23N5O2/c1-15-6-10-18(11-7-15)26-22-21(28-23(30)20-5-4-14-31-20)17(3)25-24(29-22)27-19-12-8-16(2)9-13-19/h4-14H,1-3H3,(H,28,30)(H2,25,26,27,29)
InChIKeyNPXZROQIAHEQBC-UHFFFAOYSA-N
XLogP5.73
TPSA92.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2,4-bis(4-methoxyanilino)-6-methylpyrimidin-5-yl]furan-2-carboxamide
CID 46324048
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]-3-methylbenzamide
CID 46324050
N-(2,3-dimethylquinoxalin-6-yl)furan-2-carboxamide
CID 3734340
N-[2,4-bis(4-ethoxyanilino)-6-methylpyrimidin-5-yl]benzamide
CID 22433684
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]furan-2-carboxamide
CID 44522249
3-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 20875399
N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]furan-2-carboxamide
CID 69443877
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
N-[4-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 53103254

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide?
The IUPAC name of N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide (CID 20932940) is N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide is Cc1ccc(Nc2nc(C)c(NC(=O)c3ccco3)c(Nc3ccc(C)cc3)n2)cc1.
What is the InChIKey of N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide?
The InChIKey is NPXZROQIAHEQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-15-6-10-18(11-7-15)26-22-21(28-23(30)20-5-4-14-31-20)17(3)25-24(29-22)27-19-12-8-16(2)9-13-19/h4-14H,1-3H3,(H,28,30)(H2,25,26,27,29).
What are the key properties of N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide?
N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 5.73, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]furan-2-carboxamide is sourced from PubChem (CID 20932940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).