2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-amine

C16H17N5 — CID 61013944

IUPAC2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-amine
SMILESNc1cccc2c1CCN(Cc1cn3cccnc3n1)C2
InChIInChI=1S/C16H17N5/c17-15-4-1-3-12-9-20(8-5-14(12)15)10-13-11-21-7-2-6-18-16(21)19-13/h1-4,6-7,11H,5,8-10,17H2
InChIKeyHBHCLZZKJPYARZ-UHFFFAOYSA-N
MW279.35 g/mol
LogP1.87
Rot. Bonds2

About 2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-amine

2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-amine (PubChem CID 61013944) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-amine.

Molecular Properties

Compound Name2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-amine
PubChem CID61013944
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-amine
SMILESNc1cccc2c1CCN(Cc1cn3cccnc3n1)C2
InChIInChI=1S/C16H17N5/c17-15-4-1-3-12-9-20(8-5-14(12)15)10-13-11-21-7-2-6-18-16(21)19-13/h1-4,6-7,11H,5,8-10,17H2
InChIKeyHBHCLZZKJPYARZ-UHFFFAOYSA-N
XLogP1.87
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-amine?
The IUPAC name of 2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-amine (CID 61013944) is 2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-amine.
What is the SMILES notation for 2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-amine?
The canonical SMILES for 2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-amine is Nc1cccc2c1CCN(Cc1cn3cccnc3n1)C2.
What is the InChIKey of 2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-amine?
The InChIKey is HBHCLZZKJPYARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c17-15-4-1-3-12-9-20(8-5-14(12)15)10-13-11-21-7-2-6-18-16(21)19-13/h1-4,6-7,11H,5,8-10,17H2.
What are the key properties of 2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-amine?
2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-amine has a molecular weight of 279.35 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-amine is sourced from PubChem (CID 61013944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).