4,6-dichloro-2-ethyl-5-(4-fluorophenyl)pyrimidine

C12H9Cl2FN2 — CID 79437703

IUPAC4,6-dichloro-2-ethyl-5-(4-fluorophenyl)pyrimidine
SMILESCCc1nc(Cl)c(-c2ccc(F)cc2)c(Cl)n1
InChIInChI=1S/C12H9Cl2FN2/c1-2-9-16-11(13)10(12(14)17-9)7-3-5-8(15)6-4-7/h3-6H,2H2,1H3
InChIKeyPKBORCCPAWVJOQ-UHFFFAOYSA-N
MW271.12 g/mol
LogP4.15
Rot. Bonds2

About 4,6-dichloro-2-ethyl-5-(4-fluorophenyl)pyrimidine

4,6-dichloro-2-ethyl-5-(4-fluorophenyl)pyrimidine (PubChem CID 79437703) has the molecular formula C12H9Cl2FN2 and a molecular weight of 271.12 g/mol. Its IUPAC name is 4,6-dichloro-2-ethyl-5-(4-fluorophenyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-ethyl-5-(4-fluorophenyl)pyrimidine
PubChem CID79437703
Molecular FormulaC12H9Cl2FN2
Molecular Weight271.12 g/mol
Exact Mass270.01
IUPAC Name4,6-dichloro-2-ethyl-5-(4-fluorophenyl)pyrimidine
SMILESCCc1nc(Cl)c(-c2ccc(F)cc2)c(Cl)n1
InChIInChI=1S/C12H9Cl2FN2/c1-2-9-16-11(13)10(12(14)17-9)7-3-5-8(15)6-4-7/h3-6H,2H2,1H3
InChIKeyPKBORCCPAWVJOQ-UHFFFAOYSA-N
XLogP4.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dichloro-2-ethyl-5-(3-methylphenyl)pyrimidine
CID 79417714
4,6-dichloro-5-(4-fluorophenyl)pyrimidine
CID 19735516
5-(3-bromophenyl)-4,6-dichloro-2-ethylpyrimidine
CID 79440116
4,6-dichloro-5-(4-fluorophenyl)-N-phenylpyrimidin-2-amine
CID 86045434
4,6-dichloro-5-(4-fluorophenyl)-2-thiophen-3-ylpyrimidine
CID 79438292
4,6-dichloro-5-(4-fluorophenyl)-2-(3-methylcyclopentyl)pyrimidine
CID 79431894
4,6-dichloro-5-(4-fluorophenyl)-2-pyridin-2-ylpyrimidine
CID 79431898
4-chloro-6-(4-chlorophenyl)-2-ethyl-5-methylpyrimidine
CID 80974653
4-chloro-2-ethyl-6-fluoro-5-methylpyrimidine
CID 143740717
4,6-dichloro-5-(4-chlorophenyl)-2-(2-methoxyethyl)pyrimidine
CID 79438112
4,6-dichloro-5-(4-chlorophenyl)-2-(3-methylbutyl)pyrimidine
CID 79437867
4,6-dichloro-2-[(4-fluorophenyl)methyl]-5-propylpyrimidine
CID 63611318

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-ethyl-5-(4-fluorophenyl)pyrimidine?
The IUPAC name of 4,6-dichloro-2-ethyl-5-(4-fluorophenyl)pyrimidine (CID 79437703) is 4,6-dichloro-2-ethyl-5-(4-fluorophenyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-ethyl-5-(4-fluorophenyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-2-ethyl-5-(4-fluorophenyl)pyrimidine is CCc1nc(Cl)c(-c2ccc(F)cc2)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-ethyl-5-(4-fluorophenyl)pyrimidine?
The InChIKey is PKBORCCPAWVJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2/c1-2-9-16-11(13)10(12(14)17-9)7-3-5-8(15)6-4-7/h3-6H,2H2,1H3.
What are the key properties of 4,6-dichloro-2-ethyl-5-(4-fluorophenyl)pyrimidine?
4,6-dichloro-2-ethyl-5-(4-fluorophenyl)pyrimidine has a molecular weight of 271.12 g/mol, XLogP of 4.15, 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-ethyl-5-(4-fluorophenyl)pyrimidine is sourced from PubChem (CID 79437703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).