N-benzyl-4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)aniline

C21H20N4O2 — CID 90681275

IUPACN-benzyl-4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)aniline
SMILESCOc1cc(OC)n2cc(-c3ccc(NCc4ccccc4)cc3)nc2n1
InChIInChI=1S/C21H20N4O2/c1-26-19-12-20(27-2)25-14-18(23-21(25)24-19)16-8-10-17(11-9-16)22-13-15-6-4-3-5-7-15/h3-12,14,22H,13H2,1-2H3
InChIKeyLYTWWFALGJUROX-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.03
Rot. Bonds6

About N-benzyl-4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)aniline

N-benzyl-4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)aniline (PubChem CID 90681275) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-benzyl-4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)aniline.

Molecular Properties

Compound NameN-benzyl-4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)aniline
PubChem CID90681275
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-benzyl-4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)aniline
SMILESCOc1cc(OC)n2cc(-c3ccc(NCc4ccccc4)cc3)nc2n1
InChIInChI=1S/C21H20N4O2/c1-26-19-12-20(27-2)25-14-18(23-21(25)24-19)16-8-10-17(11-9-16)22-13-15-6-4-3-5-7-15/h3-12,14,22H,13H2,1-2H3
InChIKeyLYTWWFALGJUROX-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

5,7-dimethoxy-2-(4-methylphenyl)imidazo[1,2-a]pyrimidine
CID 115404204
5,7-dimethoxy-2-(2-methylphenyl)imidazo[1,2-a]pyrimidine
CID 115404138
5,7-dimethoxy-2-(1H-pyrrol-2-yl)imidazo[1,2-a]pyrimidine
CID 115404185
2-(5-bromofuran-2-yl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine
CID 104654244
4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)-2,5-dimethyl-1,3-thiazole
CID 115404161
2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936904
N-[(1-benzylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine
CID 78879011
N-benzyl-2-ethyl-6-methoxypyrimidin-4-amine
CID 82453753
N-[(1-ethenylpyrazol-4-yl)methyl]-4-methoxyaniline
CID 106935387
5,7-dimethoxy-2-(1-methylcyclopropyl)imidazo[1,2-a]pyrimidine
CID 115404195
CID 163931246
CID 163931246
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)aniline?
The IUPAC name of N-benzyl-4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)aniline (CID 90681275) is N-benzyl-4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)aniline.
What is the SMILES notation for N-benzyl-4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)aniline?
The canonical SMILES for N-benzyl-4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)aniline is COc1cc(OC)n2cc(-c3ccc(NCc4ccccc4)cc3)nc2n1.
What is the InChIKey of N-benzyl-4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)aniline?
The InChIKey is LYTWWFALGJUROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-26-19-12-20(27-2)25-14-18(23-21(25)24-19)16-8-10-17(11-9-16)22-13-15-6-4-3-5-7-15/h3-12,14,22H,13H2,1-2H3.
What are the key properties of N-benzyl-4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)aniline?
N-benzyl-4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)aniline 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-4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)aniline is sourced from PubChem (CID 90681275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).