6-fluoro-N-(3-imidazol-1-ylpropyl)quinazolin-4-amine

C14H14FN5 — CID 86305832

IUPAC6-fluoro-N-(3-imidazol-1-ylpropyl)quinazolin-4-amine
SMILESFc1ccc2ncnc(NCCCn3ccnc3)c2c1
InChIInChI=1S/C14H14FN5/c15-11-2-3-13-12(8-11)14(19-9-18-13)17-4-1-6-20-7-5-16-10-20/h2-3,5,7-10H,1,4,6H2,(H,17,18,19)
InChIKeyAGRIUPPWAULAMS-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.47
Rot. Bonds5

About 6-fluoro-N-(3-imidazol-1-ylpropyl)quinazolin-4-amine

6-fluoro-N-(3-imidazol-1-ylpropyl)quinazolin-4-amine (PubChem CID 86305832) has the molecular formula C14H14FN5 and a molecular weight of 271.30 g/mol. Its IUPAC name is 6-fluoro-N-(3-imidazol-1-ylpropyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-(3-imidazol-1-ylpropyl)quinazolin-4-amine
PubChem CID86305832
Molecular FormulaC14H14FN5
Molecular Weight271.30 g/mol
Exact Mass271.12
IUPAC Name6-fluoro-N-(3-imidazol-1-ylpropyl)quinazolin-4-amine
SMILESFc1ccc2ncnc(NCCCn3ccnc3)c2c1
InChIInChI=1S/C14H14FN5/c15-11-2-3-13-12(8-11)14(19-9-18-13)17-4-1-6-20-7-5-16-10-20/h2-3,5,7-10H,1,4,6H2,(H,17,18,19)
InChIKeyAGRIUPPWAULAMS-UHFFFAOYSA-N
XLogP2.47
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.47
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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Related Compounds

6-fluoro-N-[4-(1,2,4-triazol-4-yl)butyl]quinazolin-4-amine
CID 133325400
4-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
4-N-(2,5-difluorophenyl)-6-N-(3-imidazol-1-ylpropyl)-5-nitropyrimidine-4,6-diamine
CID 22538644
N-(3-imidazol-1-ylpropyl)-8-methylquinazolin-4-amine
CID 75483061
5-fluoro-N-(3-imidazol-1-ylpropyl)pyridin-2-amine
CID 61313733
6-fluoro-N-(3-phenoxypropyl)quinazolin-4-amine
CID 78901232
6-fluoro-N-[2-(4-pyridin-4-ylphenyl)ethyl]quinazolin-4-amine
CID 171350371
6-bromo-N-[4-(1,2,4-triazol-4-yl)butyl]quinazolin-4-amine
CID 133324802
6-N-hexadecyl-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19142491
5-fluoro-2-(4-imidazol-1-ylbutylamino)benzonitrile
CID 63673453
4-N-(3-bromophenyl)-6-N-(3-imidazol-1-ylpropyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328368
6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine
CID 171352860

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(3-imidazol-1-ylpropyl)quinazolin-4-amine?
The IUPAC name of 6-fluoro-N-(3-imidazol-1-ylpropyl)quinazolin-4-amine (CID 86305832) is 6-fluoro-N-(3-imidazol-1-ylpropyl)quinazolin-4-amine.
What is the SMILES notation for 6-fluoro-N-(3-imidazol-1-ylpropyl)quinazolin-4-amine?
The canonical SMILES for 6-fluoro-N-(3-imidazol-1-ylpropyl)quinazolin-4-amine is Fc1ccc2ncnc(NCCCn3ccnc3)c2c1.
What is the InChIKey of 6-fluoro-N-(3-imidazol-1-ylpropyl)quinazolin-4-amine?
The InChIKey is AGRIUPPWAULAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5/c15-11-2-3-13-12(8-11)14(19-9-18-13)17-4-1-6-20-7-5-16-10-20/h2-3,5,7-10H,1,4,6H2,(H,17,18,19).
What are the key properties of 6-fluoro-N-(3-imidazol-1-ylpropyl)quinazolin-4-amine?
6-fluoro-N-(3-imidazol-1-ylpropyl)quinazolin-4-amine has a molecular weight of 271.30 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(3-imidazol-1-ylpropyl)quinazolin-4-amine is sourced from PubChem (CID 86305832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).