N-benzyl-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine

C21H20N4O2 — CID 42740240

IUPACN-benzyl-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine
SMILESCOc1ccc(OC)c(-c2nc3ncccn3c2NCc2ccccc2)c1
InChIInChI=1S/C21H20N4O2/c1-26-16-9-10-18(27-2)17(13-16)19-20(23-14-15-7-4-3-5-8-15)25-12-6-11-22-21(25)24-19/h3-13,23H,14H2,1-2H3
InChIKeyYLURALBIJYDLHR-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.03
Rot. Bonds6

About N-benzyl-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine

N-benzyl-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine (PubChem CID 42740240) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-benzyl-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine.

Molecular Properties

Compound NameN-benzyl-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine
PubChem CID42740240
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-benzyl-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine
SMILESCOc1ccc(OC)c(-c2nc3ncccn3c2NCc2ccccc2)c1
InChIInChI=1S/C21H20N4O2/c1-26-16-9-10-18(27-2)17(13-16)19-20(23-14-15-7-4-3-5-8-15)25-12-6-11-22-21(25)24-19/h3-13,23H,14H2,1-2H3
InChIKeyYLURALBIJYDLHR-UHFFFAOYSA-N
XLogP4.03
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-6,8-dibromo-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 42738387
N-[(4-chlorophenyl)methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 46342299
N-benzyl-2-(3-phenylmethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 20952842
N-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyrimidin-3-amine
CID 20952793
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 20952833
5-benzyl-4-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 72707053
2-(2,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine;hydrochloride
CID 70046984
4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)imidazo[1,2-a]pyrimidin-2-yl]-2-methoxyphenol
CID 58402606
2-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrimidin-3-amine
CID 20952820
N-benzyl-4-methoxypyridin-2-amine
CID 82674350
6-N-benzyl-4-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112871595
N-[(4-methoxyphenyl)methyl]-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)pyrimidin-2-amine
CID 91439875

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine?
The IUPAC name of N-benzyl-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine (CID 42740240) is N-benzyl-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine.
What is the SMILES notation for N-benzyl-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine?
The canonical SMILES for N-benzyl-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine is COc1ccc(OC)c(-c2nc3ncccn3c2NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine?
The InChIKey is YLURALBIJYDLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-26-16-9-10-18(27-2)17(13-16)19-20(23-14-15-7-4-3-5-8-15)25-12-6-11-22-21(25)24-19/h3-13,23H,14H2,1-2H3.
What are the key properties of N-benzyl-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine?
N-benzyl-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine has a molecular weight of 360.42 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine is sourced from PubChem (CID 42740240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).