4-chloro-5-[(3-chlorophenyl)methyl]-2,6-dimethylpyrimidine

C13H12Cl2N2 — CID 82169007

IUPAC4-chloro-5-[(3-chlorophenyl)methyl]-2,6-dimethylpyrimidine
SMILESCc1nc(C)c(Cc2cccc(Cl)c2)c(Cl)n1
InChIInChI=1S/C13H12Cl2N2/c1-8-12(13(15)17-9(2)16-8)7-10-4-3-5-11(14)6-10/h3-6H,7H2,1-2H3
InChIKeyZWHDQUAFRWEVAV-UHFFFAOYSA-N
MW267.16 g/mol
LogP3.99
Rot. Bonds2

About 4-chloro-5-[(3-chlorophenyl)methyl]-2,6-dimethylpyrimidine

4-chloro-5-[(3-chlorophenyl)methyl]-2,6-dimethylpyrimidine (PubChem CID 82169007) has the molecular formula C13H12Cl2N2 and a molecular weight of 267.16 g/mol. Its IUPAC name is 4-chloro-5-[(3-chlorophenyl)methyl]-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-[(3-chlorophenyl)methyl]-2,6-dimethylpyrimidine
PubChem CID82169007
Molecular FormulaC13H12Cl2N2
Molecular Weight267.16 g/mol
Exact Mass266.04
IUPAC Name4-chloro-5-[(3-chlorophenyl)methyl]-2,6-dimethylpyrimidine
SMILESCc1nc(C)c(Cc2cccc(Cl)c2)c(Cl)n1
InChIInChI=1S/C13H12Cl2N2/c1-8-12(13(15)17-9(2)16-8)7-10-4-3-5-11(14)6-10/h3-6H,7H2,1-2H3
InChIKeyZWHDQUAFRWEVAV-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dichloro-2-[(3-chlorophenyl)methyl]-5-ethylpyrimidine
CID 63611300
7-chloro-6-[(3-chlorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine
CID 82274547
4-(3-chlorophenyl)-6-[(3-chlorophenyl)methyl]-2-methylpyrimidine
CID 139199162
5-benzyl-4-chloro-2-(ethylsulfanylmethyl)-6-methylpyrimidine
CID 82168960
ethyl 4-[(3-chlorophenyl)methyl]-2-methylquinoline-3-carboxylate
CID 45142175
2-[(3-chlorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66305909
1-[(3-chlorophenyl)methyl]naphthalene
CID 173131881
2-chloro-5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazole
CID 63386452
2-[(3-chlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 62192554
4-chloro-5-[3-(3-chlorophenyl)prop-2-ynyl]-6-methylpyrimidin-2-amine
CID 134124781
2-[(3-chlorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63611264
1-[2-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287793

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(3-chlorophenyl)methyl]-2,6-dimethylpyrimidine?
The IUPAC name of 4-chloro-5-[(3-chlorophenyl)methyl]-2,6-dimethylpyrimidine (CID 82169007) is 4-chloro-5-[(3-chlorophenyl)methyl]-2,6-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-5-[(3-chlorophenyl)methyl]-2,6-dimethylpyrimidine?
The canonical SMILES for 4-chloro-5-[(3-chlorophenyl)methyl]-2,6-dimethylpyrimidine is Cc1nc(C)c(Cc2cccc(Cl)c2)c(Cl)n1.
What is the InChIKey of 4-chloro-5-[(3-chlorophenyl)methyl]-2,6-dimethylpyrimidine?
The InChIKey is ZWHDQUAFRWEVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2/c1-8-12(13(15)17-9(2)16-8)7-10-4-3-5-11(14)6-10/h3-6H,7H2,1-2H3.
What are the key properties of 4-chloro-5-[(3-chlorophenyl)methyl]-2,6-dimethylpyrimidine?
4-chloro-5-[(3-chlorophenyl)methyl]-2,6-dimethylpyrimidine has a molecular weight of 267.16 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(3-chlorophenyl)methyl]-2,6-dimethylpyrimidine is sourced from PubChem (CID 82169007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).