N-(4,6-dimethylpyrimidin-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide

C21H23N3O5 — CID 21047850

IUPACN-(4,6-dimethylpyrimidin-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1cc(OC)c(Cc2ccc(C(=O)Nc3nc(C)cc(C)n3)o2)c(OC)c1
InChIInChI=1S/C21H23N3O5/c1-12-8-13(2)23-21(22-12)24-20(25)17-7-6-14(29-17)9-16-18(27-4)10-15(26-3)11-19(16)28-5/h6-8,10-11H,9H2,1-5H3,(H,22,23,24,25)
InChIKeyYIMIMJFHUAPILT-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.56
Rot. Bonds7

About N-(4,6-dimethylpyrimidin-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide

N-(4,6-dimethylpyrimidin-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 21047850) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
PubChem CID21047850
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1cc(OC)c(Cc2ccc(C(=O)Nc3nc(C)cc(C)n3)o2)c(OC)c1
InChIInChI=1S/C21H23N3O5/c1-12-8-13(2)23-21(22-12)24-20(25)17-7-6-14(29-17)9-16-18(27-4)10-15(26-3)11-19(16)28-5/h6-8,10-11H,9H2,1-5H3,(H,22,23,24,25)
InChIKeyYIMIMJFHUAPILT-UHFFFAOYSA-N
XLogP3.56
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4,6-dimethylpyrimidin-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4,6-trimethoxyphenyl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047128
N-(4-methyl-1,3-thiazol-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21048045
N-(4-methoxy-6-methylpyrimidin-2-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21048003
N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21046836
N-acridin-9-yl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21048254
methyl 3-methyl-4-[[5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carbonyl]amino]benzoate
CID 21046621
N-(5-chloro-1,3-thiazol-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21048114
N-(5-chloro-2-hydroxyphenyl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21048103
N-[(2,6-dimethoxyphenyl)methyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047230
N-[4,5-dimethoxy-2-(2H-tetrazol-5-yl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047825
N-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047778
N-[2-methoxy-5-(phenylcarbamoyl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047451

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide (CID 21047850) is N-(4,6-dimethylpyrimidin-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide is COc1cc(OC)c(Cc2ccc(C(=O)Nc3nc(C)cc(C)n3)o2)c(OC)c1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is YIMIMJFHUAPILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-12-8-13(2)23-21(22-12)24-20(25)17-7-6-14(29-17)9-16-18(27-4)10-15(26-3)11-19(16)28-5/h6-8,10-11H,9H2,1-5H3,(H,22,23,24,25).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide?
N-(4,6-dimethylpyrimidin-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 397.43 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21047850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).