[2-(2-methoxyphenyl)-7-methyl-5-(2,4,6-trichlorophenyl)imidazo[1,2-a]pyrimidin-6-yl]methanamine

C21H17Cl3N4O — CID 11655271

IUPAC[2-(2-methoxyphenyl)-7-methyl-5-(2,4,6-trichlorophenyl)imidazo[1,2-a]pyrimidin-6-yl]methanamine
SMILESCOc1ccccc1-c1cn2c(-c3c(Cl)cc(Cl)cc3Cl)c(CN)c(C)nc2n1
InChIInChI=1S/C21H17Cl3N4O/c1-11-14(9-25)20(19-15(23)7-12(22)8-16(19)24)28-10-17(27-21(28)26-11)13-5-3-4-6-18(13)29-2/h3-8,10H,9,25H2,1-2H3
InChIKeyKFUGVEHCEVBFRK-UHFFFAOYSA-N
MW447.75 g/mol
LogP5.80
Rot. Bonds4

About [2-(2-methoxyphenyl)-7-methyl-5-(2,4,6-trichlorophenyl)imidazo[1,2-a]pyrimidin-6-yl]methanamine

[2-(2-methoxyphenyl)-7-methyl-5-(2,4,6-trichlorophenyl)imidazo[1,2-a]pyrimidin-6-yl]methanamine (PubChem CID 11655271) has the molecular formula C21H17Cl3N4O and a molecular weight of 447.75 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-7-methyl-5-(2,4,6-trichlorophenyl)imidazo[1,2-a]pyrimidin-6-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-7-methyl-5-(2,4,6-trichlorophenyl)imidazo[1,2-a]pyrimidin-6-yl]methanamine
PubChem CID11655271
Molecular FormulaC21H17Cl3N4O
Molecular Weight447.75 g/mol
Exact Mass446.05
IUPAC Name[2-(2-methoxyphenyl)-7-methyl-5-(2,4,6-trichlorophenyl)imidazo[1,2-a]pyrimidin-6-yl]methanamine
SMILESCOc1ccccc1-c1cn2c(-c3c(Cl)cc(Cl)cc3Cl)c(CN)c(C)nc2n1
InChIInChI=1S/C21H17Cl3N4O/c1-11-14(9-25)20(19-15(23)7-12(22)8-16(19)24)28-10-17(27-21(28)26-11)13-5-3-4-6-18(13)29-2/h3-8,10H,9,25H2,1-2H3
InChIKeyKFUGVEHCEVBFRK-UHFFFAOYSA-N
XLogP5.80
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.75
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2-methoxyphenyl)-7-methyl-5-(2,4,6-trichlorophenyl)imidazo[1,2-a]pyrimidin-6-yl]methanamine 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 [2-(2-methoxyphenyl)-7-methyl-5-(2,4,6-trichlorophenyl)imidazo[1,2-a]pyrimidin-6-yl]methanamine?
The IUPAC name of [2-(2-methoxyphenyl)-7-methyl-5-(2,4,6-trichlorophenyl)imidazo[1,2-a]pyrimidin-6-yl]methanamine (CID 11655271) is [2-(2-methoxyphenyl)-7-methyl-5-(2,4,6-trichlorophenyl)imidazo[1,2-a]pyrimidin-6-yl]methanamine.
What is the SMILES notation for [2-(2-methoxyphenyl)-7-methyl-5-(2,4,6-trichlorophenyl)imidazo[1,2-a]pyrimidin-6-yl]methanamine?
The canonical SMILES for [2-(2-methoxyphenyl)-7-methyl-5-(2,4,6-trichlorophenyl)imidazo[1,2-a]pyrimidin-6-yl]methanamine is COc1ccccc1-c1cn2c(-c3c(Cl)cc(Cl)cc3Cl)c(CN)c(C)nc2n1.
What is the InChIKey of [2-(2-methoxyphenyl)-7-methyl-5-(2,4,6-trichlorophenyl)imidazo[1,2-a]pyrimidin-6-yl]methanamine?
The InChIKey is KFUGVEHCEVBFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl3N4O/c1-11-14(9-25)20(19-15(23)7-12(22)8-16(19)24)28-10-17(27-21(28)26-11)13-5-3-4-6-18(13)29-2/h3-8,10H,9,25H2,1-2H3.
What are the key properties of [2-(2-methoxyphenyl)-7-methyl-5-(2,4,6-trichlorophenyl)imidazo[1,2-a]pyrimidin-6-yl]methanamine?
[2-(2-methoxyphenyl)-7-methyl-5-(2,4,6-trichlorophenyl)imidazo[1,2-a]pyrimidin-6-yl]methanamine has a molecular weight of 447.75 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)-7-methyl-5-(2,4,6-trichlorophenyl)imidazo[1,2-a]pyrimidin-6-yl]methanamine is sourced from PubChem (CID 11655271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).