ethyl (6R)-6-[4-(cyclohexanecarbonylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate

C24H33N3O4 — CID 93098356

IUPACethyl (6R)-6-[4-(cyclohexanecarbonylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
SMILESCCCN1C(=O)N[C@H](c2ccc(NC(=O)C3CCCCC3)cc2)C(C(=O)OCC)=C1C
InChIInChI=1S/C24H33N3O4/c1-4-15-27-16(3)20(23(29)31-5-2)21(26-24(27)30)17-11-13-19(14-12-17)25-22(28)18-9-7-6-8-10-18/h11-14,18,21H,4-10,15H2,1-3H3,(H,25,28)(H,26,30)/t21-/m1/s1
InChIKeyKJWKZTSJTDWYIF-OAQYLSRUSA-N
MW427.55 g/mol
LogP4.52
Rot. Bonds7

About ethyl (6R)-6-[4-(cyclohexanecarbonylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate

ethyl (6R)-6-[4-(cyclohexanecarbonylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 93098356) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is ethyl (6R)-6-[4-(cyclohexanecarbonylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl (6R)-6-[4-(cyclohexanecarbonylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
PubChem CID93098356
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Nameethyl (6R)-6-[4-(cyclohexanecarbonylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
SMILESCCCN1C(=O)N[C@H](c2ccc(NC(=O)C3CCCCC3)cc2)C(C(=O)OCC)=C1C
InChIInChI=1S/C24H33N3O4/c1-4-15-27-16(3)20(23(29)31-5-2)21(26-24(27)30)17-11-13-19(14-12-17)25-22(28)18-9-7-6-8-10-18/h11-14,18,21H,4-10,15H2,1-3H3,(H,25,28)(H,26,30)/t21-/m1/s1
InChIKeyKJWKZTSJTDWYIF-OAQYLSRUSA-N
XLogP4.52
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl (6R)-6-[4-(cyclohexanecarbonylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-methoxyethyl 6-[4-(cyclobutanecarbonylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 42661050
methyl (6R)-3-butyl-6-[4-(cyclopropanecarbonylamino)phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 7347413
ethyl 6-[4-[(4-chlorobenzoyl)amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 42660960
ethyl 3-butyl-4-methyl-2-oxo-6-[4-(pentanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate
CID 42753486
ethyl (6R)-6-(4-acetamidophenyl)-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 809972
2-methoxyethyl 6-[4-(cyclohexanecarbonylamino)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 42763333
ethyl 6-[4-(butanoylamino)phenyl]-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 3275530
ethyl 3-ethyl-4-methyl-2-oxo-6-[4-(propanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate
CID 42753087
2-methylpropyl 6-[4-(cyclopentanecarbonylamino)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 3330443
2-methoxyethyl 6-[4-[(4-bromobenzoyl)amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 42661046
ethyl 6-[4-(cyclohexylcarbamoylamino)phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 42661413
methyl 6-[4-(decanoylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 42756561

Frequently Asked Questions

What is the IUPAC name of ethyl (6R)-6-[4-(cyclohexanecarbonylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate?
The IUPAC name of ethyl (6R)-6-[4-(cyclohexanecarbonylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate (CID 93098356) is ethyl (6R)-6-[4-(cyclohexanecarbonylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for ethyl (6R)-6-[4-(cyclohexanecarbonylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate?
The canonical SMILES for ethyl (6R)-6-[4-(cyclohexanecarbonylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate is CCCN1C(=O)N[C@H](c2ccc(NC(=O)C3CCCCC3)cc2)C(C(=O)OCC)=C1C.
What is the InChIKey of ethyl (6R)-6-[4-(cyclohexanecarbonylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate?
The InChIKey is KJWKZTSJTDWYIF-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-4-15-27-16(3)20(23(29)31-5-2)21(26-24(27)30)17-11-13-19(14-12-17)25-22(28)18-9-7-6-8-10-18/h11-14,18,21H,4-10,15H2,1-3H3,(H,25,28)(H,26,30)/t21-/m1/s1.
What are the key properties of ethyl (6R)-6-[4-(cyclohexanecarbonylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate?
ethyl (6R)-6-[4-(cyclohexanecarbonylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 427.55 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6R)-6-[4-(cyclohexanecarbonylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 93098356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).