N-(2,2-difluoroethyl)-2-pyridin-4-ylquinazolin-4-amine

C15H12F2N4 — CID 166217645

IUPACN-(2,2-difluoroethyl)-2-pyridin-4-ylquinazolin-4-amine
SMILESFC(F)CNc1nc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C15H12F2N4/c16-13(17)9-19-15-11-3-1-2-4-12(11)20-14(21-15)10-5-7-18-8-6-10/h1-8,13H,9H2,(H,19,20,21)
InChIKeyBHRXKFFKWLBJNH-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.37
Rot. Bonds4

About N-(2,2-difluoroethyl)-2-pyridin-4-ylquinazolin-4-amine

N-(2,2-difluoroethyl)-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 166217645) has the molecular formula C15H12F2N4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-pyridin-4-ylquinazolin-4-amine
PubChem CID166217645
Molecular FormulaC15H12F2N4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-(2,2-difluoroethyl)-2-pyridin-4-ylquinazolin-4-amine
SMILESFC(F)CNc1nc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C15H12F2N4/c16-13(17)9-19-15-11-3-1-2-4-12(11)20-14(21-15)10-5-7-18-8-6-10/h1-8,13H,9H2,(H,19,20,21)
InChIKeyBHRXKFFKWLBJNH-UHFFFAOYSA-N
XLogP3.37
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 121377208
(2S)-3-[(2-pyridin-4-ylquinazolin-4-yl)amino]propane-1,2-diol
CID 11150616
5-[(2-pyridin-4-ylquinazolin-4-yl)amino]pentanenitrile
CID 133299899
N-(2-morpholin-4-ylpropyl)-2-pyridin-4-ylquinazolin-4-amine
CID 166205965
N-(4-phenylbutyl)-2-pyridin-4-ylquinazolin-4-amine
CID 142682219
2,2,2-trifluoro-1-[4-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]piperidin-1-yl]ethanone
CID 133346991
2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 10154692
N-[(3R)-2-methylpentan-3-yl]-2-pyridin-4-ylquinazolin-4-amine
CID 59389582
(2S)-2-phenyl-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]ethanol
CID 58919648
1-N,1-N-dimethyl-3-N-(2-pyridin-4-ylquinazolin-4-yl)butane-1,3-diamine
CID 133276695
2-phenyl-N-propylquinazolin-4-amine
CID 10244508
N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-pyridin-4-ylquinazolin-4-amine
CID 55516417

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of N-(2,2-difluoroethyl)-2-pyridin-4-ylquinazolin-4-amine (CID 166217645) is N-(2,2-difluoroethyl)-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-2-pyridin-4-ylquinazolin-4-amine is FC(F)CNc1nc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-(2,2-difluoroethyl)-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is BHRXKFFKWLBJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4/c16-13(17)9-19-15-11-3-1-2-4-12(11)20-14(21-15)10-5-7-18-8-6-10/h1-8,13H,9H2,(H,19,20,21).
What are the key properties of N-(2,2-difluoroethyl)-2-pyridin-4-ylquinazolin-4-amine?
N-(2,2-difluoroethyl)-2-pyridin-4-ylquinazolin-4-amine has a molecular weight of 286.29 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 166217645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).