5-fluoro-4-morpholin-4-yl-N-pyridin-2-ylpyrimidin-2-amine

C13H14FN5O — CID 958109

IUPAC5-fluoro-4-morpholin-4-yl-N-pyridin-2-ylpyrimidin-2-amine
SMILESFc1cnc(Nc2ccccn2)nc1N1CCOCC1
InChIInChI=1S/C13H14FN5O/c14-10-9-16-13(17-11-3-1-2-4-15-11)18-12(10)19-5-7-20-8-6-19/h1-4,9H,5-8H2,(H,15,16,17,18)
InChIKeyBBLJFMFPPWBTPR-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.59
Rot. Bonds3

About 5-fluoro-4-morpholin-4-yl-N-pyridin-2-ylpyrimidin-2-amine

5-fluoro-4-morpholin-4-yl-N-pyridin-2-ylpyrimidin-2-amine (PubChem CID 958109) has the molecular formula C13H14FN5O and a molecular weight of 275.29 g/mol. Its IUPAC name is 5-fluoro-4-morpholin-4-yl-N-pyridin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-morpholin-4-yl-N-pyridin-2-ylpyrimidin-2-amine
PubChem CID958109
Molecular FormulaC13H14FN5O
Molecular Weight275.29 g/mol
Exact Mass275.12
IUPAC Name5-fluoro-4-morpholin-4-yl-N-pyridin-2-ylpyrimidin-2-amine
SMILESFc1cnc(Nc2ccccn2)nc1N1CCOCC1
InChIInChI=1S/C13H14FN5O/c14-10-9-16-13(17-11-3-1-2-4-15-11)18-12(10)19-5-7-20-8-6-19/h1-4,9H,5-8H2,(H,15,16,17,18)
InChIKeyBBLJFMFPPWBTPR-UHFFFAOYSA-N
XLogP1.59
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-morpholin-4-yl-N-pyridin-2-ylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-morpholin-4-yl-N-pyridin-2-ylpyrimidin-2-amine (CID 958109) is 5-fluoro-4-morpholin-4-yl-N-pyridin-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-morpholin-4-yl-N-pyridin-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-morpholin-4-yl-N-pyridin-2-ylpyrimidin-2-amine is Fc1cnc(Nc2ccccn2)nc1N1CCOCC1.
What is the InChIKey of 5-fluoro-4-morpholin-4-yl-N-pyridin-2-ylpyrimidin-2-amine?
The InChIKey is BBLJFMFPPWBTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5O/c14-10-9-16-13(17-11-3-1-2-4-15-11)18-12(10)19-5-7-20-8-6-19/h1-4,9H,5-8H2,(H,15,16,17,18).
What are the key properties of 5-fluoro-4-morpholin-4-yl-N-pyridin-2-ylpyrimidin-2-amine?
5-fluoro-4-morpholin-4-yl-N-pyridin-2-ylpyrimidin-2-amine has a molecular weight of 275.29 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-morpholin-4-yl-N-pyridin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 958109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).