7-(chloromethyl)-6-phenylimidazo[1,2-a]pyrimidin-5-amine

C13H11ClN4 — CID 91282216

IUPAC7-(chloromethyl)-6-phenylimidazo[1,2-a]pyrimidin-5-amine
SMILESNc1c(-c2ccccc2)c(CCl)nc2nccn12
InChIInChI=1S/C13H11ClN4/c14-8-10-11(9-4-2-1-3-5-9)12(15)18-7-6-16-13(18)17-10/h1-7H,8,15H2
InChIKeyQQWPPHHCRMUCOW-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.72
Rot. Bonds2

About 7-(chloromethyl)-6-phenylimidazo[1,2-a]pyrimidin-5-amine

7-(chloromethyl)-6-phenylimidazo[1,2-a]pyrimidin-5-amine (PubChem CID 91282216) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 7-(chloromethyl)-6-phenylimidazo[1,2-a]pyrimidin-5-amine.

Molecular Properties

Compound Name7-(chloromethyl)-6-phenylimidazo[1,2-a]pyrimidin-5-amine
PubChem CID91282216
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name7-(chloromethyl)-6-phenylimidazo[1,2-a]pyrimidin-5-amine
SMILESNc1c(-c2ccccc2)c(CCl)nc2nccn12
InChIInChI=1S/C13H11ClN4/c14-8-10-11(9-4-2-1-3-5-9)12(15)18-7-6-16-13(18)17-10/h1-7H,8,15H2
InChIKeyQQWPPHHCRMUCOW-UHFFFAOYSA-N
XLogP2.72
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(chloromethyl)-6-phenylimidazo[1,2-a]pyrimidin-5-amine?
The IUPAC name of 7-(chloromethyl)-6-phenylimidazo[1,2-a]pyrimidin-5-amine (CID 91282216) is 7-(chloromethyl)-6-phenylimidazo[1,2-a]pyrimidin-5-amine.
What is the SMILES notation for 7-(chloromethyl)-6-phenylimidazo[1,2-a]pyrimidin-5-amine?
The canonical SMILES for 7-(chloromethyl)-6-phenylimidazo[1,2-a]pyrimidin-5-amine is Nc1c(-c2ccccc2)c(CCl)nc2nccn12.
What is the InChIKey of 7-(chloromethyl)-6-phenylimidazo[1,2-a]pyrimidin-5-amine?
The InChIKey is QQWPPHHCRMUCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c14-8-10-11(9-4-2-1-3-5-9)12(15)18-7-6-16-13(18)17-10/h1-7H,8,15H2.
What are the key properties of 7-(chloromethyl)-6-phenylimidazo[1,2-a]pyrimidin-5-amine?
7-(chloromethyl)-6-phenylimidazo[1,2-a]pyrimidin-5-amine has a molecular weight of 258.71 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(chloromethyl)-6-phenylimidazo[1,2-a]pyrimidin-5-amine is sourced from PubChem (CID 91282216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).