2-[4-(3-fluoropropoxy)phenyl]-N,8-dimethyl-7H-imidazo[1,2-a]pyrimidin-7-amine

C17H21FN4O — CID 129021640

IUPAC2-[4-(3-fluoropropoxy)phenyl]-N,8-dimethyl-7H-imidazo[1,2-a]pyrimidin-7-amine
SMILESCNC1C=Cn2cc(-c3ccc(OCCCF)cc3)nc2N1C
InChIInChI=1S/C17H21FN4O/c1-19-16-8-10-22-12-15(20-17(22)21(16)2)13-4-6-14(7-5-13)23-11-3-9-18/h4-8,10,12,16,19H,3,9,11H2,1-2H3
InChIKeyQFVDQVIJRJPWKL-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.75
Rot. Bonds6

About 2-[4-(3-fluoropropoxy)phenyl]-N,8-dimethyl-7H-imidazo[1,2-a]pyrimidin-7-amine

2-[4-(3-fluoropropoxy)phenyl]-N,8-dimethyl-7H-imidazo[1,2-a]pyrimidin-7-amine (PubChem CID 129021640) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[4-(3-fluoropropoxy)phenyl]-N,8-dimethyl-7H-imidazo[1,2-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-[4-(3-fluoropropoxy)phenyl]-N,8-dimethyl-7H-imidazo[1,2-a]pyrimidin-7-amine
PubChem CID129021640
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name2-[4-(3-fluoropropoxy)phenyl]-N,8-dimethyl-7H-imidazo[1,2-a]pyrimidin-7-amine
SMILESCNC1C=Cn2cc(-c3ccc(OCCCF)cc3)nc2N1C
InChIInChI=1S/C17H21FN4O/c1-19-16-8-10-22-12-15(20-17(22)21(16)2)13-4-6-14(7-5-13)23-11-3-9-18/h4-8,10,12,16,19H,3,9,11H2,1-2H3
InChIKeyQFVDQVIJRJPWKL-UHFFFAOYSA-N
XLogP2.75
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-(3-fluoropropoxy)phenyl]-N,8-dimethyl-7H-imidazo[1,2-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoropropoxy)phenyl]-N,8-dimethyl-7H-imidazo[1,2-a]pyrimidin-7-amine?
The IUPAC name of 2-[4-(3-fluoropropoxy)phenyl]-N,8-dimethyl-7H-imidazo[1,2-a]pyrimidin-7-amine (CID 129021640) is 2-[4-(3-fluoropropoxy)phenyl]-N,8-dimethyl-7H-imidazo[1,2-a]pyrimidin-7-amine.
What is the SMILES notation for 2-[4-(3-fluoropropoxy)phenyl]-N,8-dimethyl-7H-imidazo[1,2-a]pyrimidin-7-amine?
The canonical SMILES for 2-[4-(3-fluoropropoxy)phenyl]-N,8-dimethyl-7H-imidazo[1,2-a]pyrimidin-7-amine is CNC1C=Cn2cc(-c3ccc(OCCCF)cc3)nc2N1C.
What is the InChIKey of 2-[4-(3-fluoropropoxy)phenyl]-N,8-dimethyl-7H-imidazo[1,2-a]pyrimidin-7-amine?
The InChIKey is QFVDQVIJRJPWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-19-16-8-10-22-12-15(20-17(22)21(16)2)13-4-6-14(7-5-13)23-11-3-9-18/h4-8,10,12,16,19H,3,9,11H2,1-2H3.
What are the key properties of 2-[4-(3-fluoropropoxy)phenyl]-N,8-dimethyl-7H-imidazo[1,2-a]pyrimidin-7-amine?
2-[4-(3-fluoropropoxy)phenyl]-N,8-dimethyl-7H-imidazo[1,2-a]pyrimidin-7-amine has a molecular weight of 316.38 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoropropoxy)phenyl]-N,8-dimethyl-7H-imidazo[1,2-a]pyrimidin-7-amine is sourced from PubChem (CID 129021640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).