6-chloro-N-(4-ethylcyclohexyl)-N,2,5-trimethylpyrimidin-4-amine

C15H24ClN3 — CID 55229688

IUPAC6-chloro-N-(4-ethylcyclohexyl)-N,2,5-trimethylpyrimidin-4-amine
SMILESCCC1CCC(N(C)c2nc(C)nc(Cl)c2C)CC1
InChIInChI=1S/C15H24ClN3/c1-5-12-6-8-13(9-7-12)19(4)15-10(2)14(16)17-11(3)18-15/h12-13H,5-9H2,1-4H3
InChIKeyZRIGXQNZUMVIRC-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.15
Rot. Bonds3

About 6-chloro-N-(4-ethylcyclohexyl)-N,2,5-trimethylpyrimidin-4-amine

6-chloro-N-(4-ethylcyclohexyl)-N,2,5-trimethylpyrimidin-4-amine (PubChem CID 55229688) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 6-chloro-N-(4-ethylcyclohexyl)-N,2,5-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4-ethylcyclohexyl)-N,2,5-trimethylpyrimidin-4-amine
PubChem CID55229688
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name6-chloro-N-(4-ethylcyclohexyl)-N,2,5-trimethylpyrimidin-4-amine
SMILESCCC1CCC(N(C)c2nc(C)nc(Cl)c2C)CC1
InChIInChI=1S/C15H24ClN3/c1-5-12-6-8-13(9-7-12)19(4)15-10(2)14(16)17-11(3)18-15/h12-13H,5-9H2,1-4H3
InChIKeyZRIGXQNZUMVIRC-UHFFFAOYSA-N
XLogP4.15
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-ethylcyclohexyl)-N,2,5-trimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4-ethylcyclohexyl)-N,2,5-trimethylpyrimidin-4-amine (CID 55229688) is 6-chloro-N-(4-ethylcyclohexyl)-N,2,5-trimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4-ethylcyclohexyl)-N,2,5-trimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4-ethylcyclohexyl)-N,2,5-trimethylpyrimidin-4-amine is CCC1CCC(N(C)c2nc(C)nc(Cl)c2C)CC1.
What is the InChIKey of 6-chloro-N-(4-ethylcyclohexyl)-N,2,5-trimethylpyrimidin-4-amine?
The InChIKey is ZRIGXQNZUMVIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-5-12-6-8-13(9-7-12)19(4)15-10(2)14(16)17-11(3)18-15/h12-13H,5-9H2,1-4H3.
What are the key properties of 6-chloro-N-(4-ethylcyclohexyl)-N,2,5-trimethylpyrimidin-4-amine?
6-chloro-N-(4-ethylcyclohexyl)-N,2,5-trimethylpyrimidin-4-amine has a molecular weight of 281.83 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-ethylcyclohexyl)-N,2,5-trimethylpyrimidin-4-amine is sourced from PubChem (CID 55229688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).