6-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine

C16H15FN4 — CID 112507739

IUPAC6-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine
SMILESCN(CCc1ccncc1)c1ncnc2ccc(F)cc12
InChIInChI=1S/C16H15FN4/c1-21(9-6-12-4-7-18-8-5-12)16-14-10-13(17)2-3-15(14)19-11-20-16/h2-5,7-8,10-11H,6,9H2,1H3
InChIKeyVWVHRYMEYKTXIN-UHFFFAOYSA-N
MW282.32 g/mol
LogP2.84
Rot. Bonds4

About 6-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine

6-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine (PubChem CID 112507739) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is 6-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine
PubChem CID112507739
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC Name6-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine
SMILESCN(CCc1ccncc1)c1ncnc2ccc(F)cc12
InChIInChI=1S/C16H15FN4/c1-21(9-6-12-4-7-18-8-5-12)16-14-10-13(17)2-3-15(14)19-11-20-16/h2-5,7-8,10-11H,6,9H2,1H3
InChIKeyVWVHRYMEYKTXIN-UHFFFAOYSA-N
XLogP2.84
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine?
The IUPAC name of 6-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine (CID 112507739) is 6-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine.
What is the SMILES notation for 6-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine?
The canonical SMILES for 6-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine is CN(CCc1ccncc1)c1ncnc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine?
The InChIKey is VWVHRYMEYKTXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c1-21(9-6-12-4-7-18-8-5-12)16-14-10-13(17)2-3-15(14)19-11-20-16/h2-5,7-8,10-11H,6,9H2,1H3.
What are the key properties of 6-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine?
6-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine has a molecular weight of 282.32 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)quinazolin-4-amine is sourced from PubChem (CID 112507739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).