methyl (6R)-6-(5-chlorothiophen-2-yl)-3-(cyclopropylmethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

C15H17ClN2O3S — CID 94658087

IUPACmethyl (6R)-6-(5-chlorothiophen-2-yl)-3-(cyclopropylmethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(C)N(CC2CC2)C(=O)N[C@H]1c1ccc(Cl)s1
InChIInChI=1S/C15H17ClN2O3S/c1-8-12(14(19)21-2)13(10-5-6-11(16)22-10)17-15(20)18(8)7-9-3-4-9/h5-6,9,13H,3-4,7H2,1-2H3,(H,17,20)/t13-/m0/s1
InChIKeyXWGSQPAKZUIOKM-ZDUSSCGKSA-N
MW340.83 g/mol
LogP3.32
Rot. Bonds4

About methyl (6R)-6-(5-chlorothiophen-2-yl)-3-(cyclopropylmethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

methyl (6R)-6-(5-chlorothiophen-2-yl)-3-(cyclopropylmethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 94658087) has the molecular formula C15H17ClN2O3S and a molecular weight of 340.83 g/mol. Its IUPAC name is methyl (6R)-6-(5-chlorothiophen-2-yl)-3-(cyclopropylmethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-6-(5-chlorothiophen-2-yl)-3-(cyclopropylmethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
PubChem CID94658087
Molecular FormulaC15H17ClN2O3S
Molecular Weight340.83 g/mol
Exact Mass340.06
IUPAC Namemethyl (6R)-6-(5-chlorothiophen-2-yl)-3-(cyclopropylmethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(C)N(CC2CC2)C(=O)N[C@H]1c1ccc(Cl)s1
InChIInChI=1S/C15H17ClN2O3S/c1-8-12(14(19)21-2)13(10-5-6-11(16)22-10)17-15(20)18(8)7-9-3-4-9/h5-6,9,13H,3-4,7H2,1-2H3,(H,17,20)/t13-/m0/s1
InChIKeyXWGSQPAKZUIOKM-ZDUSSCGKSA-N
XLogP3.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (6R)-6-(5-chlorothiophen-2-yl)-3-(cyclopropylmethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate with MolForge

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Related Compounds

methyl (6S)-6-(5-bromothiophen-2-yl)-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 8822068
methyl (6R)-3-ethyl-4-methyl-2-oxo-6-(5-phenylthiophen-2-yl)-1,6-dihydropyrimidine-5-carboxylate
CID 8822076
4-[[6-(5-bromothiophen-2-yl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid
CID 55428088
methyl (6R)-6-(5-chlorothiophen-2-yl)-3-(2-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 41462930
methyl (6S)-6-(4-chlorophenyl)-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 694303
methyl (6S)-6-(2-chlorophenyl)-4-methyl-3-(2-methylpropyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 32955320
methyl 6-(3,4-dichlorophenyl)-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 17476927
methyl 6-(2,3-dichlorophenyl)-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 17477692
methyl 6-(3-chlorophenyl)-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 18171047
methyl (6R)-6-(4-chlorophenyl)-4-methyl-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate
CID 40699241
methyl 6-(2,4-dichlorophenyl)-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2966171
methyl (6S)-3,4-dimethyl-2-oxo-6-(5-phenylthiophen-2-yl)-1,6-dihydropyrimidine-5-carboxylate
CID 8862812

Frequently Asked Questions

What is the IUPAC name of methyl (6R)-6-(5-chlorothiophen-2-yl)-3-(cyclopropylmethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The IUPAC name of methyl (6R)-6-(5-chlorothiophen-2-yl)-3-(cyclopropylmethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (CID 94658087) is methyl (6R)-6-(5-chlorothiophen-2-yl)-3-(cyclopropylmethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for methyl (6R)-6-(5-chlorothiophen-2-yl)-3-(cyclopropylmethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The canonical SMILES for methyl (6R)-6-(5-chlorothiophen-2-yl)-3-(cyclopropylmethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is COC(=O)C1=C(C)N(CC2CC2)C(=O)N[C@H]1c1ccc(Cl)s1.
What is the InChIKey of methyl (6R)-6-(5-chlorothiophen-2-yl)-3-(cyclopropylmethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The InChIKey is XWGSQPAKZUIOKM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17ClN2O3S/c1-8-12(14(19)21-2)13(10-5-6-11(16)22-10)17-15(20)18(8)7-9-3-4-9/h5-6,9,13H,3-4,7H2,1-2H3,(H,17,20)/t13-/m0/s1.
What are the key properties of methyl (6R)-6-(5-chlorothiophen-2-yl)-3-(cyclopropylmethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
methyl (6R)-6-(5-chlorothiophen-2-yl)-3-(cyclopropylmethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 340.83 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-6-(5-chlorothiophen-2-yl)-3-(cyclopropylmethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 94658087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).