6-(2-amino-4-pyridinyl)-5-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine

C16H19FN4O — CID 141285797

IUPAC6-(2-amino-4-pyridinyl)-5-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine
SMILESNc1cc(-c2nc(NCC3CCOCC3)ccc2F)ccn1
InChIInChI=1S/C16H19FN4O/c17-13-1-2-15(20-10-11-4-7-22-8-5-11)21-16(13)12-3-6-19-14(18)9-12/h1-3,6,9,11H,4-5,7-8,10H2,(H2,18,19)(H,20,21)
InChIKeyGVIDKKYRPBACFQ-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.70
Rot. Bonds4

About 6-(2-amino-4-pyridinyl)-5-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine

6-(2-amino-4-pyridinyl)-5-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine (PubChem CID 141285797) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 6-(2-amino-4-pyridinyl)-5-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(2-amino-4-pyridinyl)-5-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine
PubChem CID141285797
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name6-(2-amino-4-pyridinyl)-5-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine
SMILESNc1cc(-c2nc(NCC3CCOCC3)ccc2F)ccn1
InChIInChI=1S/C16H19FN4O/c17-13-1-2-15(20-10-11-4-7-22-8-5-11)21-16(13)12-3-6-19-14(18)9-12/h1-3,6,9,11H,4-5,7-8,10H2,(H2,18,19)(H,20,21)
InChIKeyGVIDKKYRPBACFQ-UHFFFAOYSA-N
XLogP2.70
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-[(4-aminocyclohexyl)methylamino]-5-fluoro-4-pyridinyl]-5-chloro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 163789783
6-(2-amino-4-pyridinyl)-5-[4-[[(2R)-1-methoxypropan-2-yl]amino]cyclohexyl]-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine
CID 154176356
4-N-(oxan-4-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 115915604
6-(2-amino-4-pyridinyl)-5-chloro-N-[(1S)-1-(oxan-4-yl)ethyl]pyridin-2-amine
CID 67043538
3,5-difluoro-6-N-(oxan-4-ylmethyl)pyridine-2,6-diamine
CID 114074477
3,4-difluoro-2-N-(oxan-4-ylmethyl)benzene-1,2-diamine
CID 55225841
2-N-(oxan-4-ylmethyl)pyrazine-2,6-diamine
CID 78989247
2-(oxan-4-ylmethylamino)pyridine-4-carbothioamide
CID 63707205
7-fluoro-8-N-(oxan-4-ylmethyl)quinoline-5,8-diamine
CID 83165675
5-chloro-2-fluoro-N-(oxan-4-ylmethyl)aniline
CID 62385301
6-bromo-2-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine
CID 116795913
N-(oxan-4-ylmethyl)quinoxalin-2-amine
CID 62351550

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-4-pyridinyl)-5-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 6-(2-amino-4-pyridinyl)-5-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine (CID 141285797) is 6-(2-amino-4-pyridinyl)-5-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 6-(2-amino-4-pyridinyl)-5-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 6-(2-amino-4-pyridinyl)-5-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine is Nc1cc(-c2nc(NCC3CCOCC3)ccc2F)ccn1.
What is the InChIKey of 6-(2-amino-4-pyridinyl)-5-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine?
The InChIKey is GVIDKKYRPBACFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c17-13-1-2-15(20-10-11-4-7-22-8-5-11)21-16(13)12-3-6-19-14(18)9-12/h1-3,6,9,11H,4-5,7-8,10H2,(H2,18,19)(H,20,21).
What are the key properties of 6-(2-amino-4-pyridinyl)-5-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine?
6-(2-amino-4-pyridinyl)-5-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine has a molecular weight of 302.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-4-pyridinyl)-5-fluoro-N-(oxan-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 141285797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).