N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-methoxyethoxy)aniline

C18H22N4O2 — CID 87033232

IUPACN-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-methoxyethoxy)aniline
SMILESCOCCOc1cccc(NCc2cn3c(C)cc(C)nc3n2)c1
InChIInChI=1S/C18H22N4O2/c1-13-9-14(2)22-12-16(21-18(22)20-13)11-19-15-5-4-6-17(10-15)24-8-7-23-3/h4-6,9-10,12,19H,7-8,11H2,1-3H3
InChIKeyWTJUDXOXUHINGD-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.98
Rot. Bonds7

About N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-methoxyethoxy)aniline

N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-methoxyethoxy)aniline (PubChem CID 87033232) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-methoxyethoxy)aniline.

Molecular Properties

Compound NameN-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-methoxyethoxy)aniline
PubChem CID87033232
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-methoxyethoxy)aniline
SMILESCOCCOc1cccc(NCc2cn3c(C)cc(C)nc3n2)c1
InChIInChI=1S/C18H22N4O2/c1-13-9-14(2)22-12-16(21-18(22)20-13)11-19-15-5-4-6-17(10-15)24-8-7-23-3/h4-6,9-10,12,19H,7-8,11H2,1-3H3
InChIKeyWTJUDXOXUHINGD-UHFFFAOYSA-N
XLogP2.98
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[3-(2-methoxyethoxy)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 87029682
3-(2-methoxyethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62473686
3-(2-methoxyethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 60935772
N-[(3,4-dimethylphenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60935517
N-(furan-3-ylmethyl)-3-(2-methoxyethoxy)aniline
CID 63204186
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyethoxy)aniline
CID 60934662
N-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethoxy)aniline
CID 115762009
N-[(4-bromophenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60934782
N-[(3-fluoro-4-methylphenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 63646703
3-(2-methoxyethoxy)-N-phenylaniline
CID 156904975
3-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 54803079
3-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)aniline
CID 54803133

Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-methoxyethoxy)aniline?
The IUPAC name of N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-methoxyethoxy)aniline (CID 87033232) is N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-methoxyethoxy)aniline.
What is the SMILES notation for N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-methoxyethoxy)aniline?
The canonical SMILES for N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-methoxyethoxy)aniline is COCCOc1cccc(NCc2cn3c(C)cc(C)nc3n2)c1.
What is the InChIKey of N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-methoxyethoxy)aniline?
The InChIKey is WTJUDXOXUHINGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-9-14(2)22-12-16(21-18(22)20-13)11-19-15-5-4-6-17(10-15)24-8-7-23-3/h4-6,9-10,12,19H,7-8,11H2,1-3H3.
What are the key properties of N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-methoxyethoxy)aniline?
N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-methoxyethoxy)aniline has a molecular weight of 326.40 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-methoxyethoxy)aniline is sourced from PubChem (CID 87033232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).