4-chloro-6-(4-chlorophenyl)-2-ethyl-5-methylpyrimidine

C13H12Cl2N2 — CID 80974653

IUPAC4-chloro-6-(4-chlorophenyl)-2-ethyl-5-methylpyrimidine
SMILESCCc1nc(Cl)c(C)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H12Cl2N2/c1-3-11-16-12(8(2)13(15)17-11)9-4-6-10(14)7-5-9/h4-7H,3H2,1-2H3
InChIKeyKLXVAEUPENSTHU-UHFFFAOYSA-N
MW267.16 g/mol
LogP4.32
Rot. Bonds2

About 4-chloro-6-(4-chlorophenyl)-2-ethyl-5-methylpyrimidine

4-chloro-6-(4-chlorophenyl)-2-ethyl-5-methylpyrimidine (PubChem CID 80974653) has the molecular formula C13H12Cl2N2 and a molecular weight of 267.16 g/mol. Its IUPAC name is 4-chloro-6-(4-chlorophenyl)-2-ethyl-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-chlorophenyl)-2-ethyl-5-methylpyrimidine
PubChem CID80974653
Molecular FormulaC13H12Cl2N2
Molecular Weight267.16 g/mol
Exact Mass266.04
IUPAC Name4-chloro-6-(4-chlorophenyl)-2-ethyl-5-methylpyrimidine
SMILESCCc1nc(Cl)c(C)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H12Cl2N2/c1-3-11-16-12(8(2)13(15)17-11)9-4-6-10(14)7-5-9/h4-7H,3H2,1-2H3
InChIKeyKLXVAEUPENSTHU-UHFFFAOYSA-N
XLogP4.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-ethyl-6-(4-methoxyphenyl)-5-methylpyrimidine
CID 80975849
4-chloro-6-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrimidine
CID 80975131
4-(4-bromophenyl)-6-chloro-5-methyl-2-propylpyrimidine
CID 80975301
4-chloro-6-(2,3-dimethylphenyl)-2-ethyl-5-methylpyrimidine
CID 80975385
4-chloro-2-ethyl-6-(1-ethylpyrazol-4-yl)-5-methylpyrimidine
CID 80975287
4-chloro-2-ethyl-5-methyl-6-(3-methyl-4-pyridinyl)pyrimidine
CID 80975474
4-chloro-2-ethyl-5,6-dimethylpyrimidine
CID 21039945
4-chloro-6-(2-fluoro-5-methylphenyl)-5-methyl-2-propylpyrimidine
CID 80975531
6-(4-chlorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 80969852
4-chloro-2-ethyl-6-(1-ethylimidazol-2-yl)-5-methylpyrimidine
CID 80975109
4-chloro-6-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine
CID 80975712
4-chloro-6-(2,5-dichlorophenyl)sulfanyl-2-ethyl-5-methylpyrimidine
CID 80978191

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-chlorophenyl)-2-ethyl-5-methylpyrimidine?
The IUPAC name of 4-chloro-6-(4-chlorophenyl)-2-ethyl-5-methylpyrimidine (CID 80974653) is 4-chloro-6-(4-chlorophenyl)-2-ethyl-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(4-chlorophenyl)-2-ethyl-5-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(4-chlorophenyl)-2-ethyl-5-methylpyrimidine is CCc1nc(Cl)c(C)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-chloro-6-(4-chlorophenyl)-2-ethyl-5-methylpyrimidine?
The InChIKey is KLXVAEUPENSTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2/c1-3-11-16-12(8(2)13(15)17-11)9-4-6-10(14)7-5-9/h4-7H,3H2,1-2H3.
What are the key properties of 4-chloro-6-(4-chlorophenyl)-2-ethyl-5-methylpyrimidine?
4-chloro-6-(4-chlorophenyl)-2-ethyl-5-methylpyrimidine has a molecular weight of 267.16 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-chlorophenyl)-2-ethyl-5-methylpyrimidine is sourced from PubChem (CID 80974653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).