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

C17H19ClN4 — CID 166190511

IUPAC1-(3-chlorophenyl)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]ethanamine
SMILESCc1cc(C)n2cc(CNC(C)c3cccc(Cl)c3)nc2n1
InChIInChI=1S/C17H19ClN4/c1-11-7-12(2)22-10-16(21-17(22)20-11)9-19-13(3)14-5-4-6-15(18)8-14/h4-8,10,13,19H,9H2,1-3H3
InChIKeyXVANITGJUQRLLZ-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.85
Rot. Bonds4

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

1-(3-chlorophenyl)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]ethanamine (PubChem CID 166190511) has the molecular formula C17H19ClN4 and a molecular weight of 314.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]ethanamine
PubChem CID166190511
Molecular FormulaC17H19ClN4
Molecular Weight314.82 g/mol
Exact Mass314.13
IUPAC Name1-(3-chlorophenyl)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]ethanamine
SMILESCc1cc(C)n2cc(CNC(C)c3cccc(Cl)c3)nc2n1
InChIInChI=1S/C17H19ClN4/c1-11-7-12(2)22-10-16(21-17(22)20-11)9-19-13(3)14-5-4-6-15(18)8-14/h4-8,10,13,19H,9H2,1-3H3
InChIKeyXVANITGJUQRLLZ-UHFFFAOYSA-N
XLogP3.85
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43183544
6-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904845
1-(3-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 63986667
(1S)-1-(3-chlorophenyl)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81362064
(1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 30052784
(1S)-1-(3-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81366845
(1S)-1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 81366313
(1R)-1-(3-chlorophenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 81362448
1-(3-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 54940014
1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 43080024
1-(3-chlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 56828209
(1S)-1-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 29276650

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]ethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]ethanamine (CID 166190511) is 1-(3-chlorophenyl)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]ethanamine is Cc1cc(C)n2cc(CNC(C)c3cccc(Cl)c3)nc2n1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]ethanamine?
The InChIKey is XVANITGJUQRLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4/c1-11-7-12(2)22-10-16(21-17(22)20-11)9-19-13(3)14-5-4-6-15(18)8-14/h4-8,10,13,19H,9H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]ethanamine?
1-(3-chlorophenyl)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]ethanamine has a molecular weight of 314.82 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]ethanamine is sourced from PubChem (CID 166190511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).