ethyl 4-methyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]pyrimidine-5-carboxylate

C23H25N3O4 — CID 21046433

IUPACethyl 4-methyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC(=O)c2ccc(Cc3c(C)cc(C)cc3C)o2)nc1C
InChIInChI=1S/C23H25N3O4/c1-6-29-22(28)19-12-24-23(25-16(19)5)26-21(27)20-8-7-17(30-20)11-18-14(3)9-13(2)10-15(18)4/h7-10,12H,6,11H2,1-5H3,(H,24,25,26,27)
InChIKeyCWYHDSMNLAYWAP-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.32
Rot. Bonds6

About ethyl 4-methyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]pyrimidine-5-carboxylate

ethyl 4-methyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]pyrimidine-5-carboxylate (PubChem CID 21046433) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is ethyl 4-methyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]pyrimidine-5-carboxylate
PubChem CID21046433
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Nameethyl 4-methyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC(=O)c2ccc(Cc3c(C)cc(C)cc3C)o2)nc1C
InChIInChI=1S/C23H25N3O4/c1-6-29-22(28)19-12-24-23(25-16(19)5)26-21(27)20-8-7-17(30-20)11-18-14(3)9-13(2)10-15(18)4/h7-10,12H,6,11H2,1-5H3,(H,24,25,26,27)
InChIKeyCWYHDSMNLAYWAP-UHFFFAOYSA-N
XLogP4.32
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-methyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]pyrimidine-5-carboxylate with MolForge

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Related Compounds

ethyl 2-[2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 21046463
N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21046837
ethyl 2-phenyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate
CID 21046445
methyl (2S)-4-methyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]pentanoate
CID 58696904
ethyl 2-phenyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate;methane
CID 158434674
N-(2-hydroxy-6-methylphenyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047427
N-(2-acetyl-4,5-dimethoxyphenyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047245
N-[5-(hydroxymethyl)-2-methylphenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21048133
N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21048084
ethyl 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-4-methylpyrimidine-5-carboxylate
CID 104918606
ethyl 4-methyl-2-[(6-methyl-3-pyridinyl)methylamino]pyrimidine-5-carboxylate
CID 83179210
N-(4-methyl-1,3-benzothiazol-2-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21048030

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]pyrimidine-5-carboxylate (CID 21046433) is ethyl 4-methyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]pyrimidine-5-carboxylate is CCOC(=O)c1cnc(NC(=O)c2ccc(Cc3c(C)cc(C)cc3C)o2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]pyrimidine-5-carboxylate?
The InChIKey is CWYHDSMNLAYWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-6-29-22(28)19-12-24-23(25-16(19)5)26-21(27)20-8-7-17(30-20)11-18-14(3)9-13(2)10-15(18)4/h7-10,12H,6,11H2,1-5H3,(H,24,25,26,27).
What are the key properties of ethyl 4-methyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]pyrimidine-5-carboxylate?
ethyl 4-methyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]pyrimidine-5-carboxylate has a molecular weight of 407.47 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]pyrimidine-5-carboxylate is sourced from PubChem (CID 21046433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).