5-[2-fluoro-4-[2-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyrimidin-2-amine

C20H19FN4O2 — CID 90314011

IUPAC5-[2-fluoro-4-[2-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(-c3cccnc3OC3CCOCC3)cc2F)cn1
InChIInChI=1S/C20H19FN4O2/c21-18-10-13(3-4-16(18)14-11-24-20(22)25-12-14)17-2-1-7-23-19(17)27-15-5-8-26-9-6-15/h1-4,7,10-12,15H,5-6,8-9H2,(H2,22,24,25)
InChIKeyAHYWOTLXMOUJPQ-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.48
Rot. Bonds4

About 5-[2-fluoro-4-[2-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyrimidin-2-amine

5-[2-fluoro-4-[2-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyrimidin-2-amine (PubChem CID 90314011) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 5-[2-fluoro-4-[2-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-fluoro-4-[2-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyrimidin-2-amine
PubChem CID90314011
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name5-[2-fluoro-4-[2-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(-c3cccnc3OC3CCOCC3)cc2F)cn1
InChIInChI=1S/C20H19FN4O2/c21-18-10-13(3-4-16(18)14-11-24-20(22)25-12-14)17-2-1-7-23-19(17)27-15-5-8-26-9-6-15/h1-4,7,10-12,15H,5-6,8-9H2,(H2,22,24,25)
InChIKeyAHYWOTLXMOUJPQ-UHFFFAOYSA-N
XLogP3.48
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-fluoro-4-[2-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-[2-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyrimidin-2-amine?
The IUPAC name of 5-[2-fluoro-4-[2-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyrimidin-2-amine (CID 90314011) is 5-[2-fluoro-4-[2-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-fluoro-4-[2-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-fluoro-4-[2-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyrimidin-2-amine is Nc1ncc(-c2ccc(-c3cccnc3OC3CCOCC3)cc2F)cn1.
What is the InChIKey of 5-[2-fluoro-4-[2-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyrimidin-2-amine?
The InChIKey is AHYWOTLXMOUJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-18-10-13(3-4-16(18)14-11-24-20(22)25-12-14)17-2-1-7-23-19(17)27-15-5-8-26-9-6-15/h1-4,7,10-12,15H,5-6,8-9H2,(H2,22,24,25).
What are the key properties of 5-[2-fluoro-4-[2-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyrimidin-2-amine?
5-[2-fluoro-4-[2-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyrimidin-2-amine has a molecular weight of 366.40 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-[2-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 90314011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).