methyl (6R)-6-(2,6-difluorophenyl)-4-methyl-2-oxo-3-(thiophen-2-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate

C18H16F2N2O3S — CID 27163166

IUPACmethyl (6R)-6-(2,6-difluorophenyl)-4-methyl-2-oxo-3-(thiophen-2-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@H]1c1c(F)cccc1F
InChIInChI=1S/C18H16F2N2O3S/c1-10-14(17(23)25-2)16(15-12(19)6-3-7-13(15)20)21-18(24)22(10)9-11-5-4-8-26-11/h3-8,16H,9H2,1-2H3,(H,21,24)/t16-/m1/s1
InChIKeyMPSWMBFQPWNYKV-MRXNPFEDSA-N
MW378.40 g/mol
LogP3.74
Rot. Bonds4

About methyl (6R)-6-(2,6-difluorophenyl)-4-methyl-2-oxo-3-(thiophen-2-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate

methyl (6R)-6-(2,6-difluorophenyl)-4-methyl-2-oxo-3-(thiophen-2-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 27163166) has the molecular formula C18H16F2N2O3S and a molecular weight of 378.40 g/mol. Its IUPAC name is methyl (6R)-6-(2,6-difluorophenyl)-4-methyl-2-oxo-3-(thiophen-2-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-6-(2,6-difluorophenyl)-4-methyl-2-oxo-3-(thiophen-2-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate
PubChem CID27163166
Molecular FormulaC18H16F2N2O3S
Molecular Weight378.40 g/mol
Exact Mass378.08
IUPAC Namemethyl (6R)-6-(2,6-difluorophenyl)-4-methyl-2-oxo-3-(thiophen-2-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@H]1c1c(F)cccc1F
InChIInChI=1S/C18H16F2N2O3S/c1-10-14(17(23)25-2)16(15-12(19)6-3-7-13(15)20)21-18(24)22(10)9-11-5-4-8-26-11/h3-8,16H,9H2,1-2H3,(H,21,24)/t16-/m1/s1
InChIKeyMPSWMBFQPWNYKV-MRXNPFEDSA-N
XLogP3.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (6R)-6-(2,6-difluorophenyl)-4-methyl-2-oxo-3-(thiophen-2-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate 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

methyl (6S)-6-(2,6-difluorophenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 41037130
methyl 4-methyl-2-oxo-6-(1,3-thiazol-4-yl)-3-(thiophen-2-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate
CID 71877766
methyl (6S)-4-methyl-2-oxo-6-(1,3-thiazol-4-yl)-3-(thiophen-2-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate
CID 95178431
methyl (6R)-6-(2,6-difluorophenyl)-4-methyl-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate
CID 8649467
ethyl 6-(2,4-difluoro-5-nitrophenyl)-4-methyl-2-oxo-3-(thiophen-2-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate
CID 55834191
ethyl 6-[3-(difluoromethoxy)-4-methoxyphenyl]-4-methyl-2-oxo-3-(thiophen-2-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate
CID 55428217
methyl (6S)-6-(2-chloro-6-fluorophenyl)-3-(2-methoxyethyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 26002299
methyl 6-(2,4-difluorophenyl)-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 17442427
methyl (6R)-6-(2,6-difluorophenyl)-3-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 8650339
ethyl (6S)-3-cyclopropyl-6-(2,6-difluorophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 8651049
2-methoxyethyl 3-cyclopropyl-6-(2,6-difluorophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 43001490
ethyl (6R)-6-(2,6-difluorophenyl)-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 9448966

Frequently Asked Questions

What is the IUPAC name of methyl (6R)-6-(2,6-difluorophenyl)-4-methyl-2-oxo-3-(thiophen-2-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate?
The IUPAC name of methyl (6R)-6-(2,6-difluorophenyl)-4-methyl-2-oxo-3-(thiophen-2-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate (CID 27163166) is methyl (6R)-6-(2,6-difluorophenyl)-4-methyl-2-oxo-3-(thiophen-2-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for methyl (6R)-6-(2,6-difluorophenyl)-4-methyl-2-oxo-3-(thiophen-2-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate?
The canonical SMILES for methyl (6R)-6-(2,6-difluorophenyl)-4-methyl-2-oxo-3-(thiophen-2-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate is COC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@H]1c1c(F)cccc1F.
What is the InChIKey of methyl (6R)-6-(2,6-difluorophenyl)-4-methyl-2-oxo-3-(thiophen-2-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate?
The InChIKey is MPSWMBFQPWNYKV-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H16F2N2O3S/c1-10-14(17(23)25-2)16(15-12(19)6-3-7-13(15)20)21-18(24)22(10)9-11-5-4-8-26-11/h3-8,16H,9H2,1-2H3,(H,21,24)/t16-/m1/s1.
What are the key properties of methyl (6R)-6-(2,6-difluorophenyl)-4-methyl-2-oxo-3-(thiophen-2-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate?
methyl (6R)-6-(2,6-difluorophenyl)-4-methyl-2-oxo-3-(thiophen-2-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 378.40 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-6-(2,6-difluorophenyl)-4-methyl-2-oxo-3-(thiophen-2-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 27163166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).