4-(2,4-dichlorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate

C18H11Cl2N2O2- — CID 86606140

IUPAC4-(2,4-dichlorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate
SMILESCc1nc(-c2ccccc2)nc(-c2ccc(Cl)cc2Cl)c1C(=O)[O-]
InChIInChI=1S/C18H12Cl2N2O2/c1-10-15(18(23)24)16(13-8-7-12(19)9-14(13)20)22-17(21-10)11-5-3-2-4-6-11/h2-9H,1H3,(H,23,24)/p-1
InChIKeyKKFBOHKMYUOBJA-UHFFFAOYSA-M
MW358.20 g/mol
LogP3.79
Rot. Bonds3

About 4-(2,4-dichlorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate

4-(2,4-dichlorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate (PubChem CID 86606140) has the molecular formula C18H11Cl2N2O2- and a molecular weight of 358.20 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate
PubChem CID86606140
Molecular FormulaC18H11Cl2N2O2-
Molecular Weight358.20 g/mol
Exact Mass357.02
IUPAC Name4-(2,4-dichlorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate
SMILESCc1nc(-c2ccccc2)nc(-c2ccc(Cl)cc2Cl)c1C(=O)[O-]
InChIInChI=1S/C18H12Cl2N2O2/c1-10-15(18(23)24)16(13-8-7-12(19)9-14(13)20)22-17(21-10)11-5-3-2-4-6-11/h2-9H,1H3,(H,23,24)/p-1
InChIKeyKKFBOHKMYUOBJA-UHFFFAOYSA-M
XLogP3.79
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-6-(2,4-dichlorophenyl)-2-phenylpyrimidine-5-carbonitrile
CID 15528298
4-methyl-2,6-diphenylpyrimidin-5-ol
CID 135012179
2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 7745206
2-[3-[4-chloro-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177250533
3-(2,4-dichlorophenyl)-4-methyl-1,2-oxazole-5-carboxylic acid
CID 82362315
4-(2,4-dichlorophenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 91926431
6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid
CID 626798
1-[4-(4-chlorophenyl)-2-methyl-6-phenyl-3-pyridinyl]ethanone
CID 11450091
2-(3,5-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid
CID 114015723
2,4-dichloro-1-phenylbenzene;methane;dihydrochloride
CID 175257985
6-(4-chlorophenyl)-2-methyl-4-phenylpyridine-3-carboxamide
CID 10426313
2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 4659961

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate?
The IUPAC name of 4-(2,4-dichlorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate (CID 86606140) is 4-(2,4-dichlorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate?
The canonical SMILES for 4-(2,4-dichlorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate is Cc1nc(-c2ccccc2)nc(-c2ccc(Cl)cc2Cl)c1C(=O)[O-].
What is the InChIKey of 4-(2,4-dichlorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate?
The InChIKey is KKFBOHKMYUOBJA-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H12Cl2N2O2/c1-10-15(18(23)24)16(13-8-7-12(19)9-14(13)20)22-17(21-10)11-5-3-2-4-6-11/h2-9H,1H3,(H,23,24)/p-1.
What are the key properties of 4-(2,4-dichlorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate?
4-(2,4-dichlorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate has a molecular weight of 358.20 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 86606140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).