2-[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]ethanamine

C14H13ClN4 — CID 95475392

IUPAC2-[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]ethanamine
SMILESNCCc1c(-c2ccc(Cl)cc2)nc2ncccn12
InChIInChI=1S/C14H13ClN4/c15-11-4-2-10(3-5-11)13-12(6-7-16)19-9-1-8-17-14(19)18-13/h1-5,8-9H,6-7,16H2
InChIKeyATCLHYYWOGAZHF-UHFFFAOYSA-N
MW272.74 g/mol
LogP2.55
Rot. Bonds3

About 2-[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]ethanamine

2-[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]ethanamine (PubChem CID 95475392) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]ethanamine
PubChem CID95475392
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name2-[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]ethanamine
SMILESNCCc1c(-c2ccc(Cl)cc2)nc2ncccn12
InChIInChI=1S/C14H13ClN4/c15-11-4-2-10(3-5-11)13-12(6-7-16)19-9-1-8-17-14(19)18-13/h1-5,8-9H,6-7,16H2
InChIKeyATCLHYYWOGAZHF-UHFFFAOYSA-N
XLogP2.55
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]ethanamine
CID 82298177
2-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)ethanamine
CID 82292189
2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]ethanamine
CID 82299531
3-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]propan-1-amine
CID 170879132
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
CID 146463144
2-(4-chlorophenyl)-3-(2,6-diazabicyclo[3.2.2]nonan-6-ylmethyl)imidazo[1,2-a]pyrimidine
CID 137362129
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-N-cyclopropyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 147844744
N-(4-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 7338215
[2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrimidin-3-yl]methanamine
CID 95474904
[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-(pyrimidin-2-ylamino)methanol
CID 68624360
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-9-(cyclopentanecarbonyl)-3,9-diazabicyclo[3.3.1]nonan-7-one
CID 168863988
2-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]acetic acid
CID 82304788

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]ethanamine?
The IUPAC name of 2-[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]ethanamine (CID 95475392) is 2-[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]ethanamine.
What is the SMILES notation for 2-[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]ethanamine?
The canonical SMILES for 2-[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]ethanamine is NCCc1c(-c2ccc(Cl)cc2)nc2ncccn12.
What is the InChIKey of 2-[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]ethanamine?
The InChIKey is ATCLHYYWOGAZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c15-11-4-2-10(3-5-11)13-12(6-7-16)19-9-1-8-17-14(19)18-13/h1-5,8-9H,6-7,16H2.
What are the key properties of 2-[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]ethanamine?
2-[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]ethanamine has a molecular weight of 272.74 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]ethanamine is sourced from PubChem (CID 95475392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).