N-butyl-5,7-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyrimidin-3-amine

C16H26N4 — CID 53301198

IUPACN-butyl-5,7-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyrimidin-3-amine
SMILESCCCCNc1c(CC(C)C)nc2nc(C)cc(C)n12
InChIInChI=1S/C16H26N4/c1-6-7-8-17-15-14(9-11(2)3)19-16-18-12(4)10-13(5)20(15)16/h10-11,17H,6-9H2,1-5H3
InChIKeyHXCGAHCICYJTFL-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.76
Rot. Bonds6

About N-butyl-5,7-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyrimidin-3-amine

N-butyl-5,7-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyrimidin-3-amine (PubChem CID 53301198) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-butyl-5,7-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyrimidin-3-amine.

Molecular Properties

Compound NameN-butyl-5,7-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyrimidin-3-amine
PubChem CID53301198
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-butyl-5,7-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyrimidin-3-amine
SMILESCCCCNc1c(CC(C)C)nc2nc(C)cc(C)n12
InChIInChI=1S/C16H26N4/c1-6-7-8-17-15-14(9-11(2)3)19-16-18-12(4)10-13(5)20(15)16/h10-11,17H,6-9H2,1-5H3
InChIKeyHXCGAHCICYJTFL-UHFFFAOYSA-N
XLogP3.76
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-5,7-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyrimidin-3-amine?
The IUPAC name of N-butyl-5,7-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyrimidin-3-amine (CID 53301198) is N-butyl-5,7-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyrimidin-3-amine.
What is the SMILES notation for N-butyl-5,7-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyrimidin-3-amine?
The canonical SMILES for N-butyl-5,7-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyrimidin-3-amine is CCCCNc1c(CC(C)C)nc2nc(C)cc(C)n12.
What is the InChIKey of N-butyl-5,7-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyrimidin-3-amine?
The InChIKey is HXCGAHCICYJTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-6-7-8-17-15-14(9-11(2)3)19-16-18-12(4)10-13(5)20(15)16/h10-11,17H,6-9H2,1-5H3.
What are the key properties of N-butyl-5,7-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyrimidin-3-amine?
N-butyl-5,7-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyrimidin-3-amine has a molecular weight of 274.41 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5,7-dimethyl-2-(2-methylpropyl)imidazo[1,2-a]pyrimidin-3-amine is sourced from PubChem (CID 53301198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).