N-(2,6-dimethylphenyl)-2-(3-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine

C21H20N4 — CID 809458

IUPACN-(2,6-dimethylphenyl)-2-(3-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine
SMILESCc1cccc(-c2nc3ncccn3c2Nc2c(C)cccc2C)c1
InChIInChI=1S/C21H20N4/c1-14-7-4-10-17(13-14)19-20(25-12-6-11-22-21(25)24-19)23-18-15(2)8-5-9-16(18)3/h4-13,23H,1-3H3
InChIKeyRNNXXNNIXUBTCF-UHFFFAOYSA-N
MW328.42 g/mol
LogP5.07
Rot. Bonds3

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

N-(2,6-dimethylphenyl)-2-(3-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine (PubChem CID 809458) has the molecular formula C21H20N4 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(3-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(3-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine
PubChem CID809458
Molecular FormulaC21H20N4
Molecular Weight328.42 g/mol
Exact Mass328.17
IUPAC NameN-(2,6-dimethylphenyl)-2-(3-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine
SMILESCc1cccc(-c2nc3ncccn3c2Nc2c(C)cccc2C)c1
InChIInChI=1S/C21H20N4/c1-14-7-4-10-17(13-14)19-20(25-12-6-11-22-21(25)24-19)23-18-15(2)8-5-9-16(18)3/h4-13,23H,1-3H3
InChIKeyRNNXXNNIXUBTCF-UHFFFAOYSA-N
XLogP5.07
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(3-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(3-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine (CID 809458) is N-(2,6-dimethylphenyl)-2-(3-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(3-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(3-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine is Cc1cccc(-c2nc3ncccn3c2Nc2c(C)cccc2C)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(3-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine?
The InChIKey is RNNXXNNIXUBTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4/c1-14-7-4-10-17(13-14)19-20(25-12-6-11-22-21(25)24-19)23-18-15(2)8-5-9-16(18)3/h4-13,23H,1-3H3.
What are the key properties of N-(2,6-dimethylphenyl)-2-(3-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine?
N-(2,6-dimethylphenyl)-2-(3-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine has a molecular weight of 328.42 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(3-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine is sourced from PubChem (CID 809458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).