N-butyl-5,7-dimethyl-2-pyridin-2-ylimidazo[1,2-a]pyrimidin-3-amine

C17H21N5 — CID 53301202

IUPACN-butyl-5,7-dimethyl-2-pyridin-2-ylimidazo[1,2-a]pyrimidin-3-amine
SMILESCCCCNc1c(-c2ccccn2)nc2nc(C)cc(C)n12
InChIInChI=1S/C17H21N5/c1-4-5-9-19-16-15(14-8-6-7-10-18-14)21-17-20-12(2)11-13(3)22(16)17/h6-8,10-11,19H,4-5,9H2,1-3H3
InChIKeyFQPKSFVDADJVBJ-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.62
Rot. Bonds5

About N-butyl-5,7-dimethyl-2-pyridin-2-ylimidazo[1,2-a]pyrimidin-3-amine

N-butyl-5,7-dimethyl-2-pyridin-2-ylimidazo[1,2-a]pyrimidin-3-amine (PubChem CID 53301202) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-butyl-5,7-dimethyl-2-pyridin-2-ylimidazo[1,2-a]pyrimidin-3-amine.

Molecular Properties

Compound NameN-butyl-5,7-dimethyl-2-pyridin-2-ylimidazo[1,2-a]pyrimidin-3-amine
PubChem CID53301202
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC NameN-butyl-5,7-dimethyl-2-pyridin-2-ylimidazo[1,2-a]pyrimidin-3-amine
SMILESCCCCNc1c(-c2ccccn2)nc2nc(C)cc(C)n12
InChIInChI=1S/C17H21N5/c1-4-5-9-19-16-15(14-8-6-7-10-18-14)21-17-20-12(2)11-13(3)22(16)17/h6-8,10-11,19H,4-5,9H2,1-3H3
InChIKeyFQPKSFVDADJVBJ-UHFFFAOYSA-N
XLogP3.62
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-pyridin-2-ylimidazo[1,2-a]pyrimidin-3-amine?
The IUPAC name of N-butyl-5,7-dimethyl-2-pyridin-2-ylimidazo[1,2-a]pyrimidin-3-amine (CID 53301202) is N-butyl-5,7-dimethyl-2-pyridin-2-ylimidazo[1,2-a]pyrimidin-3-amine.
What is the SMILES notation for N-butyl-5,7-dimethyl-2-pyridin-2-ylimidazo[1,2-a]pyrimidin-3-amine?
The canonical SMILES for N-butyl-5,7-dimethyl-2-pyridin-2-ylimidazo[1,2-a]pyrimidin-3-amine is CCCCNc1c(-c2ccccn2)nc2nc(C)cc(C)n12.
What is the InChIKey of N-butyl-5,7-dimethyl-2-pyridin-2-ylimidazo[1,2-a]pyrimidin-3-amine?
The InChIKey is FQPKSFVDADJVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-4-5-9-19-16-15(14-8-6-7-10-18-14)21-17-20-12(2)11-13(3)22(16)17/h6-8,10-11,19H,4-5,9H2,1-3H3.
What are the key properties of N-butyl-5,7-dimethyl-2-pyridin-2-ylimidazo[1,2-a]pyrimidin-3-amine?
N-butyl-5,7-dimethyl-2-pyridin-2-ylimidazo[1,2-a]pyrimidin-3-amine has a molecular weight of 295.39 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5,7-dimethyl-2-pyridin-2-ylimidazo[1,2-a]pyrimidin-3-amine is sourced from PubChem (CID 53301202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).