4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-fluoropyrimidine

C11H6Cl3FN2 — CID 106818033

IUPAC4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-fluoropyrimidine
SMILESCc1ccc(-c2nc(Cl)c(F)c(Cl)n2)cc1Cl
InChIInChI=1S/C11H6Cl3FN2/c1-5-2-3-6(4-7(5)12)11-16-9(13)8(15)10(14)17-11/h2-4H,1H3
InChIKeyUBXRUGQCTZFNHQ-UHFFFAOYSA-N
MW291.54 g/mol
LogP4.55
Rot. Bonds1

About 4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-fluoropyrimidine

4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-fluoropyrimidine (PubChem CID 106818033) has the molecular formula C11H6Cl3FN2 and a molecular weight of 291.54 g/mol. Its IUPAC name is 4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-fluoropyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-fluoropyrimidine
PubChem CID106818033
Molecular FormulaC11H6Cl3FN2
Molecular Weight291.54 g/mol
Exact Mass289.96
IUPAC Name4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-fluoropyrimidine
SMILESCc1ccc(-c2nc(Cl)c(F)c(Cl)n2)cc1Cl
InChIInChI=1S/C11H6Cl3FN2/c1-5-2-3-6(4-7(5)12)11-16-9(13)8(15)10(14)17-11/h2-4H,1H3
InChIKeyUBXRUGQCTZFNHQ-UHFFFAOYSA-N
XLogP4.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.54
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-iodopyrimidine
CID 106818017
4,6-dichloro-5-fluoro-2-(4-fluoro-3-methylphenyl)pyrimidine
CID 80550185
4,6-dichloro-5-fluoro-2-(4-methylphenyl)pyrimidine
CID 80550164
4-chloro-2-(3-chloro-4-methylphenyl)-6-fluoroquinazoline
CID 63498026
4-chloro-2-(3-chloro-4-methylphenyl)-5-iodo-6-methylpyrimidine
CID 106818019
4-chloro-2-(3-chloro-4-methylphenyl)quinazoline
CID 55197160
4,5-dichloro-2-(3-chloro-4-methylphenyl)quinazoline
CID 114590337
4,8-dichloro-2-(3-chloro-4-methylphenyl)-6-methylquinazoline
CID 114590874
4,6-dichloro-2-(4-fluoro-3-methylphenyl)-5-methylpyrimidine
CID 63612311
2-(4-bromo-3-fluorophenyl)-4,6-dichloro-5-fluoropyrimidine
CID 81436237
4,6-dichloro-2-(4-ethylphenyl)-5-fluoropyrimidine
CID 80550252
2-(3-chloro-4-methylphenyl)-6-phenylpyrimidin-4-amine
CID 106818359

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-fluoropyrimidine?
The IUPAC name of 4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-fluoropyrimidine (CID 106818033) is 4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-fluoropyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-fluoropyrimidine?
The canonical SMILES for 4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-fluoropyrimidine is Cc1ccc(-c2nc(Cl)c(F)c(Cl)n2)cc1Cl.
What is the InChIKey of 4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-fluoropyrimidine?
The InChIKey is UBXRUGQCTZFNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3FN2/c1-5-2-3-6(4-7(5)12)11-16-9(13)8(15)10(14)17-11/h2-4H,1H3.
What are the key properties of 4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-fluoropyrimidine?
4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-fluoropyrimidine has a molecular weight of 291.54 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-fluoropyrimidine is sourced from PubChem (CID 106818033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).