3-(3,5-difluorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C19H22F2N6O — CID 46359479

IUPAC3-(3,5-difluorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCN1CCN(CCCNc2ncnc3onc(-c4cc(F)cc(F)c4)c23)CC1
InChIInChI=1S/C19H22F2N6O/c1-26-5-7-27(8-6-26)4-2-3-22-18-16-17(25-28-19(16)24-12-23-18)13-9-14(20)11-15(21)10-13/h9-12H,2-8H2,1H3,(H,22,23,24)
InChIKeyVGSOSNNZMHCMPI-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.61
Rot. Bonds6

About 3-(3,5-difluorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

3-(3,5-difluorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 46359479) has the molecular formula C19H22F2N6O and a molecular weight of 388.42 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID46359479
Molecular FormulaC19H22F2N6O
Molecular Weight388.42 g/mol
Exact Mass388.18
IUPAC Name3-(3,5-difluorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCN1CCN(CCCNc2ncnc3onc(-c4cc(F)cc(F)c4)c23)CC1
InChIInChI=1S/C19H22F2N6O/c1-26-5-7-27(8-6-26)4-2-3-22-18-16-17(25-28-19(16)24-12-23-18)13-9-14(20)11-15(21)10-13/h9-12H,2-8H2,1H3,(H,22,23,24)
InChIKeyVGSOSNNZMHCMPI-UHFFFAOYSA-N
XLogP2.61
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-(3,5-difluorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-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 3-(3,5-difluorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(3,5-difluorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 46359479) is 3-(3,5-difluorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(3,5-difluorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(3,5-difluorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is CN1CCN(CCCNc2ncnc3onc(-c4cc(F)cc(F)c4)c23)CC1.
What is the InChIKey of 3-(3,5-difluorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is VGSOSNNZMHCMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N6O/c1-26-5-7-27(8-6-26)4-2-3-22-18-16-17(25-28-19(16)24-12-23-18)13-9-14(20)11-15(21)10-13/h9-12H,2-8H2,1H3,(H,22,23,24).
What are the key properties of 3-(3,5-difluorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3-(3,5-difluorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 388.42 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 46359479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).