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

C19H16Cl2N2O2 — CID 13276669

IUPACmethyl 4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(C)NC(c2ccc(Cl)cc2)=NC1c1cccc(Cl)c1
InChIInChI=1S/C19H16Cl2N2O2/c1-11-16(19(24)25-2)17(13-4-3-5-15(21)10-13)23-18(22-11)12-6-8-14(20)9-7-12/h3-10,17H,1-2H3,(H,22,23)
InChIKeyOUNTYEBTBNYUOT-UHFFFAOYSA-N
MW375.26 g/mol
LogP4.53
Rot. Bonds3

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

methyl 4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate (PubChem CID 13276669) has the molecular formula C19H16Cl2N2O2 and a molecular weight of 375.26 g/mol. Its IUPAC name is methyl 4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate
PubChem CID13276669
Molecular FormulaC19H16Cl2N2O2
Molecular Weight375.26 g/mol
Exact Mass374.06
IUPAC Namemethyl 4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(C)NC(c2ccc(Cl)cc2)=NC1c1cccc(Cl)c1
InChIInChI=1S/C19H16Cl2N2O2/c1-11-16(19(24)25-2)17(13-4-3-5-15(21)10-13)23-18(22-11)12-6-8-14(20)9-7-12/h3-10,17H,1-2H3,(H,22,23)
InChIKeyOUNTYEBTBNYUOT-UHFFFAOYSA-N
XLogP4.53
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-chlorophenyl)-6-methyl-2-phenyl-1,4-dihydropyrimidin-5-yl] methyl carbonate
CID 70448821
methyl 2-methoxy-6-methyl-4-(3-methylphenyl)-1,4-dihydropyrimidine-5-carboxylate
CID 10731033
methyl (4S)-6-methyl-4-phenyl-2-thiophen-2-yl-1,4-dihydropyrimidine-5-carboxylate
CID 124561522
methyl 4-(4-chloro-3-nitrophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate
CID 20626213
dimethyl 4-[3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 21296596
dimethyl 4-(2,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 982608
methyl 4-amino-5-(3-chlorophenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 23800259
methyl (4R)-2-(2-chloro-1,3-thiazol-5-yl)-4-(4-fluorophenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate
CID 129395930
3-O-methyl 5-O-propan-2-yl 4-(3-chlorophenyl)-2-(fluoromethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 70088466
4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid
CID 19769608
3-O-ethyl 5-O-methyl 4-(3-chlorophenyl)-2-(ethylsulfanylmethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 19796502
ethyl 7-(3-chlorophenyl)-2-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 135556456

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate?
The IUPAC name of methyl 4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate (CID 13276669) is methyl 4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate is COC(=O)C1=C(C)NC(c2ccc(Cl)cc2)=NC1c1cccc(Cl)c1.
What is the InChIKey of methyl 4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate?
The InChIKey is OUNTYEBTBNYUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2/c1-11-16(19(24)25-2)17(13-4-3-5-15(21)10-13)23-18(22-11)12-6-8-14(20)9-7-12/h3-10,17H,1-2H3,(H,22,23).
What are the key properties of methyl 4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate?
methyl 4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate has a molecular weight of 375.26 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 13276669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).