N-cyclohexyl-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine

C20H24N4O — CID 46342303

IUPACN-cyclohexyl-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine
SMILESCCOc1ccc(-c2nc3ncccn3c2NC2CCCCC2)cc1
InChIInChI=1S/C20H24N4O/c1-2-25-17-11-9-15(10-12-17)18-19(22-16-7-4-3-5-8-16)24-14-6-13-21-20(24)23-18/h6,9-14,16,22H,2-5,7-8H2,1H3
InChIKeyDFACKAPILZBFOO-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.54
Rot. Bonds5

About N-cyclohexyl-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine

N-cyclohexyl-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine (PubChem CID 46342303) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine
PubChem CID46342303
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-cyclohexyl-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine
SMILESCCOc1ccc(-c2nc3ncccn3c2NC2CCCCC2)cc1
InChIInChI=1S/C20H24N4O/c1-2-25-17-11-9-15(10-12-17)18-19(22-16-7-4-3-5-8-16)24-14-6-13-21-20(24)23-18/h6,9-14,16,22H,2-5,7-8H2,1H3
InChIKeyDFACKAPILZBFOO-UHFFFAOYSA-N
XLogP4.54
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine?
The IUPAC name of N-cyclohexyl-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine (CID 46342303) is N-cyclohexyl-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine.
What is the SMILES notation for N-cyclohexyl-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine?
The canonical SMILES for N-cyclohexyl-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine is CCOc1ccc(-c2nc3ncccn3c2NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine?
The InChIKey is DFACKAPILZBFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-2-25-17-11-9-15(10-12-17)18-19(22-16-7-4-3-5-8-16)24-14-6-13-21-20(24)23-18/h6,9-14,16,22H,2-5,7-8H2,1H3.
What are the key properties of N-cyclohexyl-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine?
N-cyclohexyl-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine has a molecular weight of 336.44 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine is sourced from PubChem (CID 46342303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).