N-(2-ethyl-6-methylphenyl)-2-phenylimidazo[1,2-a]pyrimidin-3-amine

C21H20N4 — CID 20851747

IUPACN-(2-ethyl-6-methylphenyl)-2-phenylimidazo[1,2-a]pyrimidin-3-amine
SMILESCCc1cccc(C)c1Nc1c(-c2ccccc2)nc2ncccn12
InChIInChI=1S/C21H20N4/c1-3-16-12-7-9-15(2)18(16)23-20-19(17-10-5-4-6-11-17)24-21-22-13-8-14-25(20)21/h4-14,23H,3H2,1-2H3
InChIKeyVXNGUKLPOPWSLM-UHFFFAOYSA-N
MW328.42 g/mol
LogP5.01
Rot. Bonds4

About N-(2-ethyl-6-methylphenyl)-2-phenylimidazo[1,2-a]pyrimidin-3-amine

N-(2-ethyl-6-methylphenyl)-2-phenylimidazo[1,2-a]pyrimidin-3-amine (PubChem CID 20851747) has the molecular formula C21H20N4 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-phenylimidazo[1,2-a]pyrimidin-3-amine.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-phenylimidazo[1,2-a]pyrimidin-3-amine
PubChem CID20851747
Molecular FormulaC21H20N4
Molecular Weight328.42 g/mol
Exact Mass328.17
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-phenylimidazo[1,2-a]pyrimidin-3-amine
SMILESCCc1cccc(C)c1Nc1c(-c2ccccc2)nc2ncccn12
InChIInChI=1S/C21H20N4/c1-3-16-12-7-9-15(2)18(16)23-20-19(17-10-5-4-6-11-17)24-21-22-13-8-14-25(20)21/h4-14,23H,3H2,1-2H3
InChIKeyVXNGUKLPOPWSLM-UHFFFAOYSA-N
XLogP5.01
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-phenylimidazo[1,2-a]pyrimidin-3-amine?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-phenylimidazo[1,2-a]pyrimidin-3-amine (CID 20851747) is N-(2-ethyl-6-methylphenyl)-2-phenylimidazo[1,2-a]pyrimidin-3-amine.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-phenylimidazo[1,2-a]pyrimidin-3-amine?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-phenylimidazo[1,2-a]pyrimidin-3-amine is CCc1cccc(C)c1Nc1c(-c2ccccc2)nc2ncccn12.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-phenylimidazo[1,2-a]pyrimidin-3-amine?
The InChIKey is VXNGUKLPOPWSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4/c1-3-16-12-7-9-15(2)18(16)23-20-19(17-10-5-4-6-11-17)24-21-22-13-8-14-25(20)21/h4-14,23H,3H2,1-2H3.
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-phenylimidazo[1,2-a]pyrimidin-3-amine?
N-(2-ethyl-6-methylphenyl)-2-phenylimidazo[1,2-a]pyrimidin-3-amine has a molecular weight of 328.42 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-phenylimidazo[1,2-a]pyrimidin-3-amine is sourced from PubChem (CID 20851747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).