methyl 4-chloro-2-(4-chlorophenyl)pyrimidine-5-carboxylate

C12H8Cl2N2O2 — CID 82169038

IUPACmethyl 4-chloro-2-(4-chlorophenyl)pyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(-c2ccc(Cl)cc2)nc1Cl
InChIInChI=1S/C12H8Cl2N2O2/c1-18-12(17)9-6-15-11(16-10(9)14)7-2-4-8(13)5-3-7/h2-6H,1H3
InChIKeyUTLGWMLJJYCCFM-UHFFFAOYSA-N
MW283.11 g/mol
LogP3.24
Rot. Bonds2

About methyl 4-chloro-2-(4-chlorophenyl)pyrimidine-5-carboxylate

methyl 4-chloro-2-(4-chlorophenyl)pyrimidine-5-carboxylate (PubChem CID 82169038) has the molecular formula C12H8Cl2N2O2 and a molecular weight of 283.11 g/mol. Its IUPAC name is methyl 4-chloro-2-(4-chlorophenyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(4-chlorophenyl)pyrimidine-5-carboxylate
PubChem CID82169038
Molecular FormulaC12H8Cl2N2O2
Molecular Weight283.11 g/mol
Exact Mass282.00
IUPAC Namemethyl 4-chloro-2-(4-chlorophenyl)pyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(-c2ccc(Cl)cc2)nc1Cl
InChIInChI=1S/C12H8Cl2N2O2/c1-18-12(17)9-6-15-11(16-10(9)14)7-2-4-8(13)5-3-7/h2-6H,1H3
InChIKeyUTLGWMLJJYCCFM-UHFFFAOYSA-N
XLogP3.24
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-chloro-2-(4-methoxyphenyl)pyrimidine-5-carboxylate
CID 82169044
methyl 4-chloro-2-(3-methoxyphenyl)pyrimidine-5-carboxylate
CID 82169042
ethyl 4-chloro-2-(4-fluoro-3-methoxyphenyl)pyrimidine-5-carboxylate
CID 59777590
methyl 2-(4-aminophenyl)-4-methylpyrimidine-5-carboxylate
CID 100802255
2-[4-chloro-2-(4-chlorophenyl)pyrimidin-5-yl]acetic acid
CID 117225382
methyl 4-(dimethylamino)-2-pyridin-4-ylpyrimidine-5-carboxylate
CID 116865102
4-chloro-2-(4-chlorophenyl)-5-ethylpyrimidine
CID 88856160
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
ethyl 2-(4-chlorophenyl)-4-propylpyrimidine-5-carboxylate
CID 102972636
2-(4-chlorophenyl)-4-(dimethylamino)pyrimidine-5-carboxylic acid
CID 82169246
N-[1-(4-chlorophenyl)ethyl]-2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 132657337
ethyl 4-chloro-2-[4-(4-hexylphenyl)phenyl]pyrimidine-5-carboxylate
CID 15564026

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-(4-chlorophenyl)pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-(4-chlorophenyl)pyrimidine-5-carboxylate (CID 82169038) is methyl 4-chloro-2-(4-chlorophenyl)pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-(4-chlorophenyl)pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-(4-chlorophenyl)pyrimidine-5-carboxylate is COC(=O)c1cnc(-c2ccc(Cl)cc2)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-(4-chlorophenyl)pyrimidine-5-carboxylate?
The InChIKey is UTLGWMLJJYCCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O2/c1-18-12(17)9-6-15-11(16-10(9)14)7-2-4-8(13)5-3-7/h2-6H,1H3.
What are the key properties of methyl 4-chloro-2-(4-chlorophenyl)pyrimidine-5-carboxylate?
methyl 4-chloro-2-(4-chlorophenyl)pyrimidine-5-carboxylate has a molecular weight of 283.11 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-(4-chlorophenyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 82169038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).