4-[(6R)-6-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoate

C17H18ClN2O5- — CID 8649670

IUPAC4-[(6R)-6-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoate
SMILESCOC(=O)C1=C(C)N(CCCC(=O)[O-])C(=O)N[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O5/c1-10-14(16(23)25-2)15(11-5-7-12(18)8-6-11)19-17(24)20(10)9-3-4-13(21)22/h5-8,15H,3-4,9H2,1-2H3,(H,19,24)(H,21,22)/p-1/t15-/m1/s1
InChIKeyAVCXRRKTQSJLEL-OAHLLOKOSA-M
MW365.79 g/mol
LogP1.38
Rot. Bonds6

About 4-[(6R)-6-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoate

4-[(6R)-6-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoate (PubChem CID 8649670) has the molecular formula C17H18ClN2O5- and a molecular weight of 365.79 g/mol. Its IUPAC name is 4-[(6R)-6-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoate.

Molecular Properties

Compound Name4-[(6R)-6-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoate
PubChem CID8649670
Molecular FormulaC17H18ClN2O5-
Molecular Weight365.79 g/mol
Exact Mass365.09
IUPAC Name4-[(6R)-6-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoate
SMILESCOC(=O)C1=C(C)N(CCCC(=O)[O-])C(=O)N[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O5/c1-10-14(16(23)25-2)15(11-5-7-12(18)8-6-11)19-17(24)20(10)9-3-4-13(21)22/h5-8,15H,3-4,9H2,1-2H3,(H,19,24)(H,21,22)/p-1/t15-/m1/s1
InChIKeyAVCXRRKTQSJLEL-OAHLLOKOSA-M
XLogP1.38
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.79
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(6R)-6-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoate with MolForge

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Launch Full Analysis

Related Compounds

methyl (6S)-6-(4-chlorophenyl)-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 694303
methyl (6R)-6-(4-chlorophenyl)-4-methyl-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate
CID 40699241
methyl 6-(4-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2855527
methyl (6S)-6-(4-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 803222
methyl 3-butyl-6-(3,4-difluorophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 51110622
4-[(6R)-6-(2,4-dichlorophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid
CID 8649691
methyl (6R)-3-butyl-6-[4-(cyclopropanecarbonylamino)phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 7347413
4-[(6R)-5-methoxycarbonyl-4-methyl-6-naphthalen-2-yl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid
CID 8863697
methyl (6R)-6-[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 93098478
methyl 6-[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 42661089
methyl 4-methyl-3-[4-[(2-methylpropan-2-yl)oxyamino]-4-oxobutyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 71768457
ethyl (6R)-6-(4-bromophenyl)-3-(4-methoxy-4-oxobutyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 92852793

Frequently Asked Questions

What is the IUPAC name of 4-[(6R)-6-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoate?
The IUPAC name of 4-[(6R)-6-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoate (CID 8649670) is 4-[(6R)-6-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoate.
What is the SMILES notation for 4-[(6R)-6-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoate?
The canonical SMILES for 4-[(6R)-6-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoate is COC(=O)C1=C(C)N(CCCC(=O)[O-])C(=O)N[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of 4-[(6R)-6-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoate?
The InChIKey is AVCXRRKTQSJLEL-OAHLLOKOSA-M. The full InChI is InChI=1S/C17H19ClN2O5/c1-10-14(16(23)25-2)15(11-5-7-12(18)8-6-11)19-17(24)20(10)9-3-4-13(21)22/h5-8,15H,3-4,9H2,1-2H3,(H,19,24)(H,21,22)/p-1/t15-/m1/s1.
What are the key properties of 4-[(6R)-6-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoate?
4-[(6R)-6-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoate has a molecular weight of 365.79 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6R)-6-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoate is sourced from PubChem (CID 8649670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).