2,4-dichloro-5-cyclohexylpyrimidine

C10H12Cl2N2 — CID 117260859

IUPAC2,4-dichloro-5-cyclohexylpyrimidine
SMILESClc1ncc(C2CCCCC2)c(Cl)n1
InChIInChI=1S/C10H12Cl2N2/c11-9-8(6-13-10(12)14-9)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyAKLCEUWGFZZVJF-UHFFFAOYSA-N
MW231.13 g/mol
LogP3.83
Rot. Bonds1

About 2,4-dichloro-5-cyclohexylpyrimidine

2,4-dichloro-5-cyclohexylpyrimidine (PubChem CID 117260859) has the molecular formula C10H12Cl2N2 and a molecular weight of 231.13 g/mol. Its IUPAC name is 2,4-dichloro-5-cyclohexylpyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-cyclohexylpyrimidine
PubChem CID117260859
Molecular FormulaC10H12Cl2N2
Molecular Weight231.13 g/mol
Exact Mass230.04
IUPAC Name2,4-dichloro-5-cyclohexylpyrimidine
SMILESClc1ncc(C2CCCCC2)c(Cl)n1
InChIInChI=1S/C10H12Cl2N2/c11-9-8(6-13-10(12)14-9)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyAKLCEUWGFZZVJF-UHFFFAOYSA-N
XLogP3.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dichloro-5-cyclopropylpyrimidine
CID 55270783
2-Chloro-5-pentylpyrimidine
CID 16756526
5-Cyclohexylpyrimidin-2-amine
CID 13163993
2,4-Dichloro-5-(propan-2-yl)pyrimidine
CID 21058690
2-Chloro-5-decylpyrimidine
CID 22099083
2-Chloro-5-(cyclohexyl)pyrimidine
CID 66520029
4-Chloro-2-methyl-5-propylpyrimidine
CID 28064543
2,4-Dichloro-5-(1-(trifluoromethyl)cyclopropyl)pyrimidine
CID 166636813
5-Butyl-2-chloropyrimidine
CID 40424810
5-(1-Adamantyl) pyrimidine
CID 85774557
trans-5-(4-Pentylcyclohexyl)-2-pyrimidinecarbonitrile
CID 19380481
5-(4-Butylcyclohexyl)pyrimidine-2-carbonitrile
CID 19380532

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-cyclohexylpyrimidine?
The IUPAC name of 2,4-dichloro-5-cyclohexylpyrimidine (CID 117260859) is 2,4-dichloro-5-cyclohexylpyrimidine.
What is the SMILES notation for 2,4-dichloro-5-cyclohexylpyrimidine?
The canonical SMILES for 2,4-dichloro-5-cyclohexylpyrimidine is Clc1ncc(C2CCCCC2)c(Cl)n1.
What is the InChIKey of 2,4-dichloro-5-cyclohexylpyrimidine?
The InChIKey is AKLCEUWGFZZVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2/c11-9-8(6-13-10(12)14-9)7-4-2-1-3-5-7/h6-7H,1-5H2.
What are the key properties of 2,4-dichloro-5-cyclohexylpyrimidine?
2,4-dichloro-5-cyclohexylpyrimidine has a molecular weight of 231.13 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-cyclohexylpyrimidine is sourced from PubChem (CID 117260859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).