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

C13H18Cl2N2 — CID 63612318

IUPAC4,6-dichloro-5-ethyl-2-(4-methylcyclohexyl)pyrimidine
SMILESCCc1c(Cl)nc(C2CCC(C)CC2)nc1Cl
InChIInChI=1S/C13H18Cl2N2/c1-3-10-11(14)16-13(17-12(10)15)9-6-4-8(2)5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyOJRUGEYJRJZFDN-UHFFFAOYSA-N
MW273.21 g/mol
LogP4.64
Rot. Bonds2

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

4,6-dichloro-5-ethyl-2-(4-methylcyclohexyl)pyrimidine (PubChem CID 63612318) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 4,6-dichloro-5-ethyl-2-(4-methylcyclohexyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-ethyl-2-(4-methylcyclohexyl)pyrimidine
PubChem CID63612318
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name4,6-dichloro-5-ethyl-2-(4-methylcyclohexyl)pyrimidine
SMILESCCc1c(Cl)nc(C2CCC(C)CC2)nc1Cl
InChIInChI=1S/C13H18Cl2N2/c1-3-10-11(14)16-13(17-12(10)15)9-6-4-8(2)5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyOJRUGEYJRJZFDN-UHFFFAOYSA-N
XLogP4.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-cyclobutyl-5-ethyl-6-methylpyrimidine
CID 64981738
4,6-dichloro-2-cyclooctyl-5-propylpyrimidine
CID 80602250
(4,6-dichloro-2-cyclopropylpyrimidin-5-yl)methanol
CID 46941488
5-bromo-4-chloro-6-methyl-2-(4-methylcyclohexyl)pyrimidine
CID 66293541
4-chloro-2-cyclooctyl-5-ethyl-6-methylpyrimidine
CID 80602537
4-chloro-5-iodo-6-methyl-2-(4-methylcyclohexyl)pyrimidine
CID 66294162
4,6-dichloro-2-(3-methylcyclohexyl)-5-propylpyrimidine
CID 63611823
5-ethyl-6-methyl-2-(4-methylcyclohexyl)pyrimidin-4-amine
CID 62191021
4-chloro-5-iodo-2-(3-methylcyclopentyl)-6-propylpyrimidine
CID 66295009
4-chloro-5-ethyl-6-methyl-2-(oxan-4-yl)pyrimidine
CID 62386840
5-bromo-4-chloro-2-cyclopropyl-6-propylpyrimidine
CID 66293970
[4,6-dimethyl-2-(4-methylcyclohexyl)pyrimidin-5-yl]methanamine
CID 62745432

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-ethyl-2-(4-methylcyclohexyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-ethyl-2-(4-methylcyclohexyl)pyrimidine (CID 63612318) is 4,6-dichloro-5-ethyl-2-(4-methylcyclohexyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-ethyl-2-(4-methylcyclohexyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-ethyl-2-(4-methylcyclohexyl)pyrimidine is CCc1c(Cl)nc(C2CCC(C)CC2)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-ethyl-2-(4-methylcyclohexyl)pyrimidine?
The InChIKey is OJRUGEYJRJZFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c1-3-10-11(14)16-13(17-12(10)15)9-6-4-8(2)5-7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 4,6-dichloro-5-ethyl-2-(4-methylcyclohexyl)pyrimidine?
4,6-dichloro-5-ethyl-2-(4-methylcyclohexyl)pyrimidine has a molecular weight of 273.21 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-ethyl-2-(4-methylcyclohexyl)pyrimidine is sourced from PubChem (CID 63612318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).