4,6-dichloro-2-(2-ethylphenyl)-5-methylpyrimidine

C13H12Cl2N2 — CID 55217796

IUPAC4,6-dichloro-2-(2-ethylphenyl)-5-methylpyrimidine
SMILESCCc1ccccc1-c1nc(Cl)c(C)c(Cl)n1
InChIInChI=1S/C13H12Cl2N2/c1-3-9-6-4-5-7-10(9)13-16-11(14)8(2)12(15)17-13/h4-7H,3H2,1-2H3
InChIKeyQBBRVQXYGFEESE-UHFFFAOYSA-N
MW267.16 g/mol
LogP4.32
Rot. Bonds2

About 4,6-dichloro-2-(2-ethylphenyl)-5-methylpyrimidine

4,6-dichloro-2-(2-ethylphenyl)-5-methylpyrimidine (PubChem CID 55217796) has the molecular formula C13H12Cl2N2 and a molecular weight of 267.16 g/mol. Its IUPAC name is 4,6-dichloro-2-(2-ethylphenyl)-5-methylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(2-ethylphenyl)-5-methylpyrimidine
PubChem CID55217796
Molecular FormulaC13H12Cl2N2
Molecular Weight267.16 g/mol
Exact Mass266.04
IUPAC Name4,6-dichloro-2-(2-ethylphenyl)-5-methylpyrimidine
SMILESCCc1ccccc1-c1nc(Cl)c(C)c(Cl)n1
InChIInChI=1S/C13H12Cl2N2/c1-3-9-6-4-5-7-10(9)13-16-11(14)8(2)12(15)17-13/h4-7H,3H2,1-2H3
InChIKeyQBBRVQXYGFEESE-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

Fenclorim
CID 77338
4,6-Dichloro-2-phenylpyrimidin-5-amine
CID 736673
4-Chloro-6-methyl-2-phenylpyrimidine
CID 598255
4-Pyrimidinamine, 6-chloro-2-methyl-N-(phenylmethyl)-5-(2-propenyl)-
CID 854382
2,4-Dichloro-6-phenylpyrimidine
CID 241554
4,6-Dichloro-2-methylthio-5-phenylpyrimidine
CID 623101
N~4~-benzyl-6-chloro-N~4~-methyl-2,4-pyrimidinediamine
CID 1481936
2-[4-Chloro-trans-styryl]-4,6-dichloro-5-[4-chlorophenyl]pyrimidine
CID 5373789
4,5-Dichloro-6-methyl-2-phenylpyrimidine
CID 3309923
4-(3-Chlorophenyl)-6-propylpyrimidine-2-carbonitrile
CID 49862308
2,4,6-Trichloro-5-phenylpyrimidine
CID 249013
4,6-Dichloro-2,5-diphenylpyrimidine
CID 4116137

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(2-ethylphenyl)-5-methylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(2-ethylphenyl)-5-methylpyrimidine (CID 55217796) is 4,6-dichloro-2-(2-ethylphenyl)-5-methylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(2-ethylphenyl)-5-methylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(2-ethylphenyl)-5-methylpyrimidine is CCc1ccccc1-c1nc(Cl)c(C)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-(2-ethylphenyl)-5-methylpyrimidine?
The InChIKey is QBBRVQXYGFEESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2/c1-3-9-6-4-5-7-10(9)13-16-11(14)8(2)12(15)17-13/h4-7H,3H2,1-2H3.
What are the key properties of 4,6-dichloro-2-(2-ethylphenyl)-5-methylpyrimidine?
4,6-dichloro-2-(2-ethylphenyl)-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 4,6-dichloro-2-(2-ethylphenyl)-5-methylpyrimidine is sourced from PubChem (CID 55217796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).