methyl (6R)-6-[4-(difluoromethoxy)-3,5-dimethylphenyl]-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

C18H22F2N2O4 — CID 8822080

IUPACmethyl (6R)-6-[4-(difluoromethoxy)-3,5-dimethylphenyl]-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SMILESCCN1C(=O)N[C@H](c2cc(C)c(OC(F)F)c(C)c2)C(C(=O)OC)=C1C
InChIInChI=1S/C18H22F2N2O4/c1-6-22-11(4)13(16(23)25-5)14(21-18(22)24)12-7-9(2)15(10(3)8-12)26-17(19)20/h7-8,14,17H,6H2,1-5H3,(H,21,24)/t14-/m1/s1
InChIKeyNXVWWNSEAUKMSF-CQSZACIVSA-N
MW368.38 g/mol
LogP3.44
Rot. Bonds5

About methyl (6R)-6-[4-(difluoromethoxy)-3,5-dimethylphenyl]-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

methyl (6R)-6-[4-(difluoromethoxy)-3,5-dimethylphenyl]-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 8822080) has the molecular formula C18H22F2N2O4 and a molecular weight of 368.38 g/mol. Its IUPAC name is methyl (6R)-6-[4-(difluoromethoxy)-3,5-dimethylphenyl]-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-6-[4-(difluoromethoxy)-3,5-dimethylphenyl]-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
PubChem CID8822080
Molecular FormulaC18H22F2N2O4
Molecular Weight368.38 g/mol
Exact Mass368.15
IUPAC Namemethyl (6R)-6-[4-(difluoromethoxy)-3,5-dimethylphenyl]-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SMILESCCN1C(=O)N[C@H](c2cc(C)c(OC(F)F)c(C)c2)C(C(=O)OC)=C1C
InChIInChI=1S/C18H22F2N2O4/c1-6-22-11(4)13(16(23)25-5)14(21-18(22)24)12-7-9(2)15(10(3)8-12)26-17(19)20/h7-8,14,17H,6H2,1-5H3,(H,21,24)/t14-/m1/s1
InChIKeyNXVWWNSEAUKMSF-CQSZACIVSA-N
XLogP3.44
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

methyl (6R)-6-[4-(difluoromethoxy)phenyl]-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 694291
methyl (4S)-4-[4-(difluoromethoxy)-3,5-dimethylphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 8810977
methyl (6S)-6-(4-chlorophenyl)-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 694303
methyl (4S)-4-[4-(difluoromethoxy)-3,5-dimethylphenyl]-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 9070011
methyl 6-(3,4-dichlorophenyl)-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 17476927
methyl 6-(3-chlorophenyl)-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 18171047
methyl (6R)-6-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2221662
methyl 6-(2,4-difluorophenyl)-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 17442427
methyl 3-ethyl-4-methyl-2-oxo-6-pyridin-3-yl-1,6-dihydropyrimidine-5-carboxylate
CID 2917533
methyl (6R)-6-(3-cyanophenyl)-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 41462541
methyl (6S)-6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 30925314
methyl (6R)-3-ethyl-4-methyl-2-oxo-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate
CID 713508

Frequently Asked Questions

What is the IUPAC name of methyl (6R)-6-[4-(difluoromethoxy)-3,5-dimethylphenyl]-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The IUPAC name of methyl (6R)-6-[4-(difluoromethoxy)-3,5-dimethylphenyl]-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (CID 8822080) is methyl (6R)-6-[4-(difluoromethoxy)-3,5-dimethylphenyl]-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for methyl (6R)-6-[4-(difluoromethoxy)-3,5-dimethylphenyl]-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The canonical SMILES for methyl (6R)-6-[4-(difluoromethoxy)-3,5-dimethylphenyl]-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is CCN1C(=O)N[C@H](c2cc(C)c(OC(F)F)c(C)c2)C(C(=O)OC)=C1C.
What is the InChIKey of methyl (6R)-6-[4-(difluoromethoxy)-3,5-dimethylphenyl]-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The InChIKey is NXVWWNSEAUKMSF-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22F2N2O4/c1-6-22-11(4)13(16(23)25-5)14(21-18(22)24)12-7-9(2)15(10(3)8-12)26-17(19)20/h7-8,14,17H,6H2,1-5H3,(H,21,24)/t14-/m1/s1.
What are the key properties of methyl (6R)-6-[4-(difluoromethoxy)-3,5-dimethylphenyl]-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
methyl (6R)-6-[4-(difluoromethoxy)-3,5-dimethylphenyl]-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 368.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-6-[4-(difluoromethoxy)-3,5-dimethylphenyl]-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 8822080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).