methyl 2-methoxy-6-methyl-4-(3-methylphenyl)-1,4-dihydropyrimidine-5-carboxylate

C15H18N2O3 — CID 10731033

IUPACmethyl 2-methoxy-6-methyl-4-(3-methylphenyl)-1,4-dihydropyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(C)NC(OC)=NC1c1cccc(C)c1
InChIInChI=1S/C15H18N2O3/c1-9-6-5-7-11(8-9)13-12(14(18)19-3)10(2)16-15(17-13)20-4/h5-8,13H,1-4H3,(H,16,17)
InChIKeyMQKIHSPGGOFXGL-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.09
Rot. Bonds2

About methyl 2-methoxy-6-methyl-4-(3-methylphenyl)-1,4-dihydropyrimidine-5-carboxylate

methyl 2-methoxy-6-methyl-4-(3-methylphenyl)-1,4-dihydropyrimidine-5-carboxylate (PubChem CID 10731033) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 2-methoxy-6-methyl-4-(3-methylphenyl)-1,4-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-6-methyl-4-(3-methylphenyl)-1,4-dihydropyrimidine-5-carboxylate
PubChem CID10731033
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namemethyl 2-methoxy-6-methyl-4-(3-methylphenyl)-1,4-dihydropyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(C)NC(OC)=NC1c1cccc(C)c1
InChIInChI=1S/C15H18N2O3/c1-9-6-5-7-11(8-9)13-12(14(18)19-3)10(2)16-15(17-13)20-4/h5-8,13H,1-4H3,(H,16,17)
InChIKeyMQKIHSPGGOFXGL-UHFFFAOYSA-N
XLogP2.09
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-methoxy-6-methyl-4-(3-methylphenyl)-1,4-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 2-methoxy-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate
CID 22725211
ethyl 2-(cyanoamino)-6-methyl-4-(3-methylphenyl)-1,4-dihydropyrimidine-5-carboxylate
CID 66495586
methyl 4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate
CID 13276669
ethyl 4-(furan-2-yl)-2-methoxy-6-methyl-1,4-dihydropyrimidine-5-carboxylate
CID 15306525
methyl (4S)-6-methyl-4-phenyl-2-thiophen-2-yl-1,4-dihydropyrimidine-5-carboxylate
CID 124561522
[(2S)-1-[benzyl(methyl)amino]propan-2-yl] 2-methoxy-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate
CID 14855119
methyl 2,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyridin-3-ide-5-carboxylate;yttrium
CID 59920112
dimethyl 4-(3-aminophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 11645365
dimethyl 2,6-dimethyl-4-(3-trimethylsilylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 15040763
methyl 2,6,6-trimethyl-4-(3-methylphenyl)-5-oxo-1,4,7,8-tetrahydroquinoline-3-carboxylate
CID 11823986
1-[2-methoxy-6-methyl-4-(4-methylbenzene-5-id-1-yl)-1,4-dihydropyrimidin-5-yl]ethanone;pentakis(yttrium)
CID 59929817
methyl (4S)-6-ethyl-4-(3-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 10637260

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-6-methyl-4-(3-methylphenyl)-1,4-dihydropyrimidine-5-carboxylate?
The IUPAC name of methyl 2-methoxy-6-methyl-4-(3-methylphenyl)-1,4-dihydropyrimidine-5-carboxylate (CID 10731033) is methyl 2-methoxy-6-methyl-4-(3-methylphenyl)-1,4-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2-methoxy-6-methyl-4-(3-methylphenyl)-1,4-dihydropyrimidine-5-carboxylate?
The canonical SMILES for methyl 2-methoxy-6-methyl-4-(3-methylphenyl)-1,4-dihydropyrimidine-5-carboxylate is COC(=O)C1=C(C)NC(OC)=NC1c1cccc(C)c1.
What is the InChIKey of methyl 2-methoxy-6-methyl-4-(3-methylphenyl)-1,4-dihydropyrimidine-5-carboxylate?
The InChIKey is MQKIHSPGGOFXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-6-5-7-11(8-9)13-12(14(18)19-3)10(2)16-15(17-13)20-4/h5-8,13H,1-4H3,(H,16,17).
What are the key properties of methyl 2-methoxy-6-methyl-4-(3-methylphenyl)-1,4-dihydropyrimidine-5-carboxylate?
methyl 2-methoxy-6-methyl-4-(3-methylphenyl)-1,4-dihydropyrimidine-5-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-6-methyl-4-(3-methylphenyl)-1,4-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 10731033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).