6-fluoro-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine

C15H13FN4 — CID 171691676

IUPAC6-fluoro-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine
SMILESCN(Cc1ccncc1)c1ncnc2ccc(F)cc12
InChIInChI=1S/C15H13FN4/c1-20(9-11-4-6-17-7-5-11)15-13-8-12(16)2-3-14(13)18-10-19-15/h2-8,10H,9H2,1H3
InChIKeyWYCUPFZYTHSBLU-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.80
Rot. Bonds3

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

6-fluoro-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine (PubChem CID 171691676) has the molecular formula C15H13FN4 and a molecular weight of 268.30 g/mol. Its IUPAC name is 6-fluoro-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine
PubChem CID171691676
Molecular FormulaC15H13FN4
Molecular Weight268.30 g/mol
Exact Mass268.11
IUPAC Name6-fluoro-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine
SMILESCN(Cc1ccncc1)c1ncnc2ccc(F)cc12
InChIInChI=1S/C15H13FN4/c1-20(9-11-4-6-17-7-5-11)15-13-8-12(16)2-3-14(13)18-10-19-15/h2-8,10H,9H2,1H3
InChIKeyWYCUPFZYTHSBLU-UHFFFAOYSA-N
XLogP2.80
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.80
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-(pyridin-4-ylmethyl)quinazolin-4-amine?
The IUPAC name of 6-fluoro-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine (CID 171691676) is 6-fluoro-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 6-fluoro-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 6-fluoro-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine is CN(Cc1ccncc1)c1ncnc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine?
The InChIKey is WYCUPFZYTHSBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4/c1-20(9-11-4-6-17-7-5-11)15-13-8-12(16)2-3-14(13)18-10-19-15/h2-8,10H,9H2,1H3.
What are the key properties of 6-fluoro-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine?
6-fluoro-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine has a molecular weight of 268.30 g/mol, XLogP of 2.80, 3 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-(pyridin-4-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 171691676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).