2-[(E)-1-phenylprop-1-en-2-yl]-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyrimidin-3-amine

C23H30N4 — CID 42741257

IUPAC2-[(E)-1-phenylprop-1-en-2-yl]-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyrimidin-3-amine
SMILESC/C(=C\c1ccccc1)c1nc2ncccn2c1NC(C)(C)CC(C)(C)C
InChIInChI=1S/C23H30N4/c1-17(15-18-11-8-7-9-12-18)19-20(26-23(5,6)16-22(2,3)4)27-14-10-13-24-21(27)25-19/h7-15,26H,16H2,1-6H3/b17-15+
InChIKeyWQNBKHJLISOEIU-BMRADRMJSA-N
MW362.52 g/mol
LogP5.92
Rot. Bonds5

About 2-[(E)-1-phenylprop-1-en-2-yl]-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyrimidin-3-amine

2-[(E)-1-phenylprop-1-en-2-yl]-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyrimidin-3-amine (PubChem CID 42741257) has the molecular formula C23H30N4 and a molecular weight of 362.52 g/mol. Its IUPAC name is 2-[(E)-1-phenylprop-1-en-2-yl]-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyrimidin-3-amine.

Molecular Properties

Compound Name2-[(E)-1-phenylprop-1-en-2-yl]-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyrimidin-3-amine
PubChem CID42741257
Molecular FormulaC23H30N4
Molecular Weight362.52 g/mol
Exact Mass362.25
IUPAC Name2-[(E)-1-phenylprop-1-en-2-yl]-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyrimidin-3-amine
SMILESC/C(=C\c1ccccc1)c1nc2ncccn2c1NC(C)(C)CC(C)(C)C
InChIInChI=1S/C23H30N4/c1-17(15-18-11-8-7-9-12-18)19-20(26-23(5,6)16-22(2,3)4)27-14-10-13-24-21(27)25-19/h7-15,26H,16H2,1-6H3/b17-15+
InChIKeyWQNBKHJLISOEIU-BMRADRMJSA-N
XLogP5.92
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-phenylprop-1-en-2-yl]-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyrimidin-3-amine?
The IUPAC name of 2-[(E)-1-phenylprop-1-en-2-yl]-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyrimidin-3-amine (CID 42741257) is 2-[(E)-1-phenylprop-1-en-2-yl]-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyrimidin-3-amine.
What is the SMILES notation for 2-[(E)-1-phenylprop-1-en-2-yl]-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyrimidin-3-amine?
The canonical SMILES for 2-[(E)-1-phenylprop-1-en-2-yl]-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyrimidin-3-amine is C/C(=C\c1ccccc1)c1nc2ncccn2c1NC(C)(C)CC(C)(C)C.
What is the InChIKey of 2-[(E)-1-phenylprop-1-en-2-yl]-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyrimidin-3-amine?
The InChIKey is WQNBKHJLISOEIU-BMRADRMJSA-N. The full InChI is InChI=1S/C23H30N4/c1-17(15-18-11-8-7-9-12-18)19-20(26-23(5,6)16-22(2,3)4)27-14-10-13-24-21(27)25-19/h7-15,26H,16H2,1-6H3/b17-15+.
What are the key properties of 2-[(E)-1-phenylprop-1-en-2-yl]-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyrimidin-3-amine?
2-[(E)-1-phenylprop-1-en-2-yl]-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyrimidin-3-amine has a molecular weight of 362.52 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-phenylprop-1-en-2-yl]-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyrimidin-3-amine is sourced from PubChem (CID 42741257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).