4,6-dichloro-2-[(4-chlorophenyl)methyl]-5-methylpyrimidine

C12H9Cl3N2 — CID 63612652

IUPAC4,6-dichloro-2-[(4-chlorophenyl)methyl]-5-methylpyrimidine
SMILESCc1c(Cl)nc(Cc2ccc(Cl)cc2)nc1Cl
InChIInChI=1S/C12H9Cl3N2/c1-7-11(14)16-10(17-12(7)15)6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3
InChIKeyPEMQZPPXOUAZFY-UHFFFAOYSA-N
MW287.58 g/mol
LogP4.34
Rot. Bonds2

About 4,6-dichloro-2-[(4-chlorophenyl)methyl]-5-methylpyrimidine

4,6-dichloro-2-[(4-chlorophenyl)methyl]-5-methylpyrimidine (PubChem CID 63612652) has the molecular formula C12H9Cl3N2 and a molecular weight of 287.58 g/mol. Its IUPAC name is 4,6-dichloro-2-[(4-chlorophenyl)methyl]-5-methylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[(4-chlorophenyl)methyl]-5-methylpyrimidine
PubChem CID63612652
Molecular FormulaC12H9Cl3N2
Molecular Weight287.58 g/mol
Exact Mass285.98
IUPAC Name4,6-dichloro-2-[(4-chlorophenyl)methyl]-5-methylpyrimidine
SMILESCc1c(Cl)nc(Cc2ccc(Cl)cc2)nc1Cl
InChIInChI=1S/C12H9Cl3N2/c1-7-11(14)16-10(17-12(7)15)6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3
InChIKeyPEMQZPPXOUAZFY-UHFFFAOYSA-N
XLogP4.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.58
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-[(4-chlorophenyl)methyl]-5-ethyl-6-methylpyrimidine
CID 54898228
4-[(4-chlorophenyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83083645
4-chloro-2-[(4-chlorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 61382087
5-bromo-4-chloro-2-[(4-chlorophenyl)methyl]-6-cyclopropylpyrimidine
CID 66293927
5-chloro-3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazole
CID 46318460
4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethylpyrimidine
CID 60995827
1-(4,6-dichloro-5-methylpyrimidin-2-yl)-N,N-dimethylmethanamine
CID 79077879
4-chloro-6-(4-chlorophenyl)-2-ethyl-5-methylpyrimidine
CID 80974653
4-chloro-6-[(4-chlorophenyl)methyl]-2-methylpyrimidine
CID 121205787
1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 63346783
4,6-dichloro-2-[(4-fluorophenyl)methyl]-5-propylpyrimidine
CID 63611318
2-benzyl-4-chloro-5-fluoro-6-methylpyrimidine
CID 66000630

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[(4-chlorophenyl)methyl]-5-methylpyrimidine?
The IUPAC name of 4,6-dichloro-2-[(4-chlorophenyl)methyl]-5-methylpyrimidine (CID 63612652) is 4,6-dichloro-2-[(4-chlorophenyl)methyl]-5-methylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[(4-chlorophenyl)methyl]-5-methylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-[(4-chlorophenyl)methyl]-5-methylpyrimidine is Cc1c(Cl)nc(Cc2ccc(Cl)cc2)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-[(4-chlorophenyl)methyl]-5-methylpyrimidine?
The InChIKey is PEMQZPPXOUAZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3N2/c1-7-11(14)16-10(17-12(7)15)6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3.
What are the key properties of 4,6-dichloro-2-[(4-chlorophenyl)methyl]-5-methylpyrimidine?
4,6-dichloro-2-[(4-chlorophenyl)methyl]-5-methylpyrimidine has a molecular weight of 287.58 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[(4-chlorophenyl)methyl]-5-methylpyrimidine is sourced from PubChem (CID 63612652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).