5-bromo-4-chloro-6-ethyl-2-(4-ethylcyclohexyl)pyrimidine

C14H20BrClN2 — CID 66294833

IUPAC5-bromo-4-chloro-6-ethyl-2-(4-ethylcyclohexyl)pyrimidine
SMILESCCc1nc(C2CCC(CC)CC2)nc(Cl)c1Br
InChIInChI=1S/C14H20BrClN2/c1-3-9-5-7-10(8-6-9)14-17-11(4-2)12(15)13(16)18-14/h9-10H,3-8H2,1-2H3
InChIKeyXJKDFKHRSGAFNJ-UHFFFAOYSA-N
MW331.69 g/mol
LogP5.14
Rot. Bonds3

About 5-bromo-4-chloro-6-ethyl-2-(4-ethylcyclohexyl)pyrimidine

5-bromo-4-chloro-6-ethyl-2-(4-ethylcyclohexyl)pyrimidine (PubChem CID 66294833) has the molecular formula C14H20BrClN2 and a molecular weight of 331.69 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-ethyl-2-(4-ethylcyclohexyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-ethyl-2-(4-ethylcyclohexyl)pyrimidine
PubChem CID66294833
Molecular FormulaC14H20BrClN2
Molecular Weight331.69 g/mol
Exact Mass330.05
IUPAC Name5-bromo-4-chloro-6-ethyl-2-(4-ethylcyclohexyl)pyrimidine
SMILESCCc1nc(C2CCC(CC)CC2)nc(Cl)c1Br
InChIInChI=1S/C14H20BrClN2/c1-3-9-5-7-10(8-6-9)14-17-11(4-2)12(15)13(16)18-14/h9-10H,3-8H2,1-2H3
InChIKeyXJKDFKHRSGAFNJ-UHFFFAOYSA-N
XLogP5.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.69
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-4-chloro-2-cyclobutyl-6-ethylpyrimidine
CID 66292583
5-bromo-4-chloro-6-ethyl-2-(oxan-4-yl)pyrimidine
CID 66294218
5-bromo-4-chloro-2-cyclopropyl-6-propylpyrimidine
CID 66293970
5-bromo-4,6-dichloro-2-(3-ethylcyclopentyl)pyrimidine
CID 66314551
3-(5-bromo-4-chloro-6-ethylpyrimidin-2-yl)thiolane 1,1-dioxide
CID 115336186
5-bromo-4-chloro-2-cyclohexyl-6-propylpyrimidine
CID 66292539
4-chloro-2-(4-ethylcyclohexyl)-5,6-dimethylpyrimidine
CID 65393714
5-bromo-4-chloro-6-ethyl-2-(thian-2-yl)pyrimidine
CID 80622284
5-bromo-4-chloro-6-ethyl-2-(5-methyloxolan-2-yl)pyrimidine
CID 82836731
5-bromo-4-chloro-6-(methoxymethyl)-2-(4-propan-2-ylcyclohexyl)pyrimidine
CID 66293644
5-bromo-4-chloro-2-(1,4-dithian-2-yl)-6-ethylpyrimidine
CID 79972998
2-(4-tert-butylcyclohexyl)-4-chloro-6-ethyl-5-iodopyrimidine
CID 66292595

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-ethyl-2-(4-ethylcyclohexyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-ethyl-2-(4-ethylcyclohexyl)pyrimidine (CID 66294833) is 5-bromo-4-chloro-6-ethyl-2-(4-ethylcyclohexyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-ethyl-2-(4-ethylcyclohexyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-ethyl-2-(4-ethylcyclohexyl)pyrimidine is CCc1nc(C2CCC(CC)CC2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-ethyl-2-(4-ethylcyclohexyl)pyrimidine?
The InChIKey is XJKDFKHRSGAFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2/c1-3-9-5-7-10(8-6-9)14-17-11(4-2)12(15)13(16)18-14/h9-10H,3-8H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-6-ethyl-2-(4-ethylcyclohexyl)pyrimidine?
5-bromo-4-chloro-6-ethyl-2-(4-ethylcyclohexyl)pyrimidine has a molecular weight of 331.69 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-ethyl-2-(4-ethylcyclohexyl)pyrimidine is sourced from PubChem (CID 66294833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).