2-[2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl]ethanamine

C15H20N4 — CID 136995657

IUPAC2-[2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl]ethanamine
SMILESCc1ccccc1-c1nc2n(c1CCN)CCCN2
InChIInChI=1S/C15H20N4/c1-11-5-2-3-6-12(11)14-13(7-8-16)19-10-4-9-17-15(19)18-14/h2-3,5-6H,4,7-10,16H2,1H3,(H,17,18)
InChIKeyQURNEOQCCRJTQY-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.18
Rot. Bonds3

About 2-[2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl]ethanamine

2-[2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl]ethanamine (PubChem CID 136995657) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl]ethanamine
PubChem CID136995657
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-[2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl]ethanamine
SMILESCc1ccccc1-c1nc2n(c1CCN)CCCN2
InChIInChI=1S/C15H20N4/c1-11-5-2-3-6-12(11)14-13(7-8-16)19-10-4-9-17-15(19)18-14/h2-3,5-6H,4,7-10,16H2,1H3,(H,17,18)
InChIKeyQURNEOQCCRJTQY-UHFFFAOYSA-N
XLogP2.18
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl]ethanamine?
The IUPAC name of 2-[2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl]ethanamine (CID 136995657) is 2-[2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl]ethanamine.
What is the SMILES notation for 2-[2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl]ethanamine?
The canonical SMILES for 2-[2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl]ethanamine is Cc1ccccc1-c1nc2n(c1CCN)CCCN2.
What is the InChIKey of 2-[2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl]ethanamine?
The InChIKey is QURNEOQCCRJTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11-5-2-3-6-12(11)14-13(7-8-16)19-10-4-9-17-15(19)18-14/h2-3,5-6H,4,7-10,16H2,1H3,(H,17,18).
What are the key properties of 2-[2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl]ethanamine?
2-[2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl]ethanamine has a molecular weight of 256.35 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl]ethanamine is sourced from PubChem (CID 136995657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).