N-(4-ethylcyclohexyl)-4-phenoxypyrimidin-2-amine

C18H23N3O — CID 167822808

IUPACN-(4-ethylcyclohexyl)-4-phenoxypyrimidin-2-amine
SMILESCCC1CCC(Nc2nccc(Oc3ccccc3)n2)CC1
InChIInChI=1S/C18H23N3O/c1-2-14-8-10-15(11-9-14)20-18-19-13-12-17(21-18)22-16-6-4-3-5-7-16/h3-7,12-15H,2,8-11H2,1H3,(H,19,20,21)
InChIKeyZTPNNVNMOIARQA-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.65
Rot. Bonds5

About N-(4-ethylcyclohexyl)-4-phenoxypyrimidin-2-amine

N-(4-ethylcyclohexyl)-4-phenoxypyrimidin-2-amine (PubChem CID 167822808) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-4-phenoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-4-phenoxypyrimidin-2-amine
PubChem CID167822808
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-(4-ethylcyclohexyl)-4-phenoxypyrimidin-2-amine
SMILESCCC1CCC(Nc2nccc(Oc3ccccc3)n2)CC1
InChIInChI=1S/C18H23N3O/c1-2-14-8-10-15(11-9-14)20-18-19-13-12-17(21-18)22-16-6-4-3-5-7-16/h3-7,12-15H,2,8-11H2,1H3,(H,19,20,21)
InChIKeyZTPNNVNMOIARQA-UHFFFAOYSA-N
XLogP4.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-ethylcyclohexyl)-4-phenoxypyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-4-phenoxypyrimidin-2-amine?
The IUPAC name of N-(4-ethylcyclohexyl)-4-phenoxypyrimidin-2-amine (CID 167822808) is N-(4-ethylcyclohexyl)-4-phenoxypyrimidin-2-amine.
What is the SMILES notation for N-(4-ethylcyclohexyl)-4-phenoxypyrimidin-2-amine?
The canonical SMILES for N-(4-ethylcyclohexyl)-4-phenoxypyrimidin-2-amine is CCC1CCC(Nc2nccc(Oc3ccccc3)n2)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-4-phenoxypyrimidin-2-amine?
The InChIKey is ZTPNNVNMOIARQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-2-14-8-10-15(11-9-14)20-18-19-13-12-17(21-18)22-16-6-4-3-5-7-16/h3-7,12-15H,2,8-11H2,1H3,(H,19,20,21).
What are the key properties of N-(4-ethylcyclohexyl)-4-phenoxypyrimidin-2-amine?
N-(4-ethylcyclohexyl)-4-phenoxypyrimidin-2-amine has a molecular weight of 297.40 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-4-phenoxypyrimidin-2-amine is sourced from PubChem (CID 167822808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).