methyl (6S)-3-(2-methoxyethyl)-4-methyl-6-phenyl-2-prop-2-enylimino-1,6-dihydropyrimidine-5-carboxylate

C19H25N3O3 — CID 135616981

IUPACmethyl (6S)-3-(2-methoxyethyl)-4-methyl-6-phenyl-2-prop-2-enylimino-1,6-dihydropyrimidine-5-carboxylate
SMILESC=CC/N=C1/N[C@@H](c2ccccc2)C(C(=O)OC)=C(C)N1CCOC
InChIInChI=1S/C19H25N3O3/c1-5-11-20-19-21-17(15-9-7-6-8-10-15)16(18(23)25-4)14(2)22(19)12-13-24-3/h5-10,17H,1,11-13H2,2-4H3,(H,20,21)/t17-/m0/s1
InChIKeyIEVFHLVLBVQGHO-KRWDZBQOSA-N
MW343.43 g/mol
LogP2.27
Rot. Bonds7

About methyl (6S)-3-(2-methoxyethyl)-4-methyl-6-phenyl-2-prop-2-enylimino-1,6-dihydropyrimidine-5-carboxylate

methyl (6S)-3-(2-methoxyethyl)-4-methyl-6-phenyl-2-prop-2-enylimino-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 135616981) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is methyl (6S)-3-(2-methoxyethyl)-4-methyl-6-phenyl-2-prop-2-enylimino-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl (6S)-3-(2-methoxyethyl)-4-methyl-6-phenyl-2-prop-2-enylimino-1,6-dihydropyrimidine-5-carboxylate
PubChem CID135616981
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Namemethyl (6S)-3-(2-methoxyethyl)-4-methyl-6-phenyl-2-prop-2-enylimino-1,6-dihydropyrimidine-5-carboxylate
SMILESC=CC/N=C1/N[C@@H](c2ccccc2)C(C(=O)OC)=C(C)N1CCOC
InChIInChI=1S/C19H25N3O3/c1-5-11-20-19-21-17(15-9-7-6-8-10-15)16(18(23)25-4)14(2)22(19)12-13-24-3/h5-10,17H,1,11-13H2,2-4H3,(H,20,21)/t17-/m0/s1
InChIKeyIEVFHLVLBVQGHO-KRWDZBQOSA-N
XLogP2.27
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl (6S)-3-(2-methoxyethyl)-4-methyl-6-phenyl-2-prop-2-enylimino-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

Ethyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2737412
Ethyl 1,4-dihydro-2-hydroxy-6-methyl-4-phenyl-5-pyrimidinecarboxylate
CID 220272
Methyl 1,6-dimethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 650850
Methyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 296188
Ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 296187
Stk364061
CID 2847047
Pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-6-methyl-2-oxo-4-phenyl-, ethyl ester
CID 614956
Allyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 3500644
methyl (6S)-3-benzyl-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 6936297
Cyclohexyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2836907
Butyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2847907
methyl (6S)-3-ethyl-4-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate
CID 694306

Frequently Asked Questions

What is the IUPAC name of methyl (6S)-3-(2-methoxyethyl)-4-methyl-6-phenyl-2-prop-2-enylimino-1,6-dihydropyrimidine-5-carboxylate?
The IUPAC name of methyl (6S)-3-(2-methoxyethyl)-4-methyl-6-phenyl-2-prop-2-enylimino-1,6-dihydropyrimidine-5-carboxylate (CID 135616981) is methyl (6S)-3-(2-methoxyethyl)-4-methyl-6-phenyl-2-prop-2-enylimino-1,6-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for methyl (6S)-3-(2-methoxyethyl)-4-methyl-6-phenyl-2-prop-2-enylimino-1,6-dihydropyrimidine-5-carboxylate?
The canonical SMILES for methyl (6S)-3-(2-methoxyethyl)-4-methyl-6-phenyl-2-prop-2-enylimino-1,6-dihydropyrimidine-5-carboxylate is C=CC/N=C1/N[C@@H](c2ccccc2)C(C(=O)OC)=C(C)N1CCOC.
What is the InChIKey of methyl (6S)-3-(2-methoxyethyl)-4-methyl-6-phenyl-2-prop-2-enylimino-1,6-dihydropyrimidine-5-carboxylate?
The InChIKey is IEVFHLVLBVQGHO-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-5-11-20-19-21-17(15-9-7-6-8-10-15)16(18(23)25-4)14(2)22(19)12-13-24-3/h5-10,17H,1,11-13H2,2-4H3,(H,20,21)/t17-/m0/s1.
What are the key properties of methyl (6S)-3-(2-methoxyethyl)-4-methyl-6-phenyl-2-prop-2-enylimino-1,6-dihydropyrimidine-5-carboxylate?
methyl (6S)-3-(2-methoxyethyl)-4-methyl-6-phenyl-2-prop-2-enylimino-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 343.43 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6S)-3-(2-methoxyethyl)-4-methyl-6-phenyl-2-prop-2-enylimino-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 135616981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).