5-chloro-2-(2-ethoxyethoxy)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline

C17H19ClN4O2 — CID 71917007

IUPAC5-chloro-2-(2-ethoxyethoxy)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline
SMILESCCOCCOc1ccc(Cl)cc1NCc1cn2cccnc2n1
InChIInChI=1S/C17H19ClN4O2/c1-2-23-8-9-24-16-5-4-13(18)10-15(16)20-11-14-12-22-7-3-6-19-17(22)21-14/h3-7,10,12,20H,2,8-9,11H2,1H3
InChIKeyMNNUZAUBZZQRCO-UHFFFAOYSA-N
MW346.82 g/mol
LogP3.41
Rot. Bonds8

About 5-chloro-2-(2-ethoxyethoxy)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline

5-chloro-2-(2-ethoxyethoxy)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline (PubChem CID 71917007) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 5-chloro-2-(2-ethoxyethoxy)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name5-chloro-2-(2-ethoxyethoxy)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline
PubChem CID71917007
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name5-chloro-2-(2-ethoxyethoxy)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline
SMILESCCOCCOc1ccc(Cl)cc1NCc1cn2cccnc2n1
InChIInChI=1S/C17H19ClN4O2/c1-2-23-8-9-24-16-5-4-13(18)10-15(16)20-11-14-12-22-7-3-6-19-17(22)21-14/h3-7,10,12,20H,2,8-9,11H2,1H3
InChIKeyMNNUZAUBZZQRCO-UHFFFAOYSA-N
XLogP3.41
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 53.41
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

3-chloro-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline
CID 705362
5-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyaniline
CID 62746982
N-[2-(2,4-dichlorophenoxy)ethyl]-2-(2-ethoxyethoxy)aniline
CID 54801778
5-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-propoxyaniline
CID 103347674
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-propoxyaniline
CID 63453538
5-chloro-2-ethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62132956
(2S)-2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide
CID 119317513
5-chloro-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxyaniline
CID 86977933
2-[(5-chloro-2-ethoxyanilino)methyl]phenol
CID 54865428
1-[5-chloro-2-(2-ethoxyethoxy)phenyl]-N-ethylethanamine
CID 62074237
(3R)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide
CID 124683819
2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pentanamide
CID 119317523

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-ethoxyethoxy)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline?
The IUPAC name of 5-chloro-2-(2-ethoxyethoxy)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline (CID 71917007) is 5-chloro-2-(2-ethoxyethoxy)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline.
What is the SMILES notation for 5-chloro-2-(2-ethoxyethoxy)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline?
The canonical SMILES for 5-chloro-2-(2-ethoxyethoxy)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline is CCOCCOc1ccc(Cl)cc1NCc1cn2cccnc2n1.
What is the InChIKey of 5-chloro-2-(2-ethoxyethoxy)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline?
The InChIKey is MNNUZAUBZZQRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-2-23-8-9-24-16-5-4-13(18)10-15(16)20-11-14-12-22-7-3-6-19-17(22)21-14/h3-7,10,12,20H,2,8-9,11H2,1H3.
What are the key properties of 5-chloro-2-(2-ethoxyethoxy)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline?
5-chloro-2-(2-ethoxyethoxy)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline has a molecular weight of 346.82 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-ethoxyethoxy)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline is sourced from PubChem (CID 71917007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).