4-chloro-2-(4-ethylcyclohexyl)-5,6-dimethylpyrimidine

C14H21ClN2 — CID 65393714

IUPAC4-chloro-2-(4-ethylcyclohexyl)-5,6-dimethylpyrimidine
SMILESCCC1CCC(c2nc(C)c(C)c(Cl)n2)CC1
InChIInChI=1S/C14H21ClN2/c1-4-11-5-7-12(8-6-11)14-16-10(3)9(2)13(15)17-14/h11-12H,4-8H2,1-3H3
InChIKeyYEEBXNPNTNQUIJ-UHFFFAOYSA-N
MW252.79 g/mol
LogP4.43
Rot. Bonds2

About 4-chloro-2-(4-ethylcyclohexyl)-5,6-dimethylpyrimidine

4-chloro-2-(4-ethylcyclohexyl)-5,6-dimethylpyrimidine (PubChem CID 65393714) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 4-chloro-2-(4-ethylcyclohexyl)-5,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-ethylcyclohexyl)-5,6-dimethylpyrimidine
PubChem CID65393714
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name4-chloro-2-(4-ethylcyclohexyl)-5,6-dimethylpyrimidine
SMILESCCC1CCC(c2nc(C)c(C)c(Cl)n2)CC1
InChIInChI=1S/C14H21ClN2/c1-4-11-5-7-12(8-6-11)14-16-10(3)9(2)13(15)17-14/h11-12H,4-8H2,1-3H3
InChIKeyYEEBXNPNTNQUIJ-UHFFFAOYSA-N
XLogP4.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-ethylcyclohexyl)-5,6-dimethylpyrimidine?
The IUPAC name of 4-chloro-2-(4-ethylcyclohexyl)-5,6-dimethylpyrimidine (CID 65393714) is 4-chloro-2-(4-ethylcyclohexyl)-5,6-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-2-(4-ethylcyclohexyl)-5,6-dimethylpyrimidine?
The canonical SMILES for 4-chloro-2-(4-ethylcyclohexyl)-5,6-dimethylpyrimidine is CCC1CCC(c2nc(C)c(C)c(Cl)n2)CC1.
What is the InChIKey of 4-chloro-2-(4-ethylcyclohexyl)-5,6-dimethylpyrimidine?
The InChIKey is YEEBXNPNTNQUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-4-11-5-7-12(8-6-11)14-16-10(3)9(2)13(15)17-14/h11-12H,4-8H2,1-3H3.
What are the key properties of 4-chloro-2-(4-ethylcyclohexyl)-5,6-dimethylpyrimidine?
4-chloro-2-(4-ethylcyclohexyl)-5,6-dimethylpyrimidine has a molecular weight of 252.79 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-ethylcyclohexyl)-5,6-dimethylpyrimidine is sourced from PubChem (CID 65393714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).