5-fluoro-4-morpholin-4-yl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine

C19H20FN5O2 — CID 134702076

IUPAC5-fluoro-4-morpholin-4-yl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine
SMILESFc1cnc(NCCOc2cccc3cccnc23)nc1N1CCOCC1
InChIInChI=1S/C19H20FN5O2/c20-15-13-23-19(24-18(15)25-8-11-26-12-9-25)22-7-10-27-16-5-1-3-14-4-2-6-21-17(14)16/h1-6,13H,7-12H2,(H,22,23,24)
InChIKeyMHTJCIWJCWCBPL-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.49
Rot. Bonds6

About 5-fluoro-4-morpholin-4-yl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine

5-fluoro-4-morpholin-4-yl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine (PubChem CID 134702076) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 5-fluoro-4-morpholin-4-yl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-morpholin-4-yl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine
PubChem CID134702076
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name5-fluoro-4-morpholin-4-yl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine
SMILESFc1cnc(NCCOc2cccc3cccnc23)nc1N1CCOCC1
InChIInChI=1S/C19H20FN5O2/c20-15-13-23-19(24-18(15)25-8-11-26-12-9-25)22-7-10-27-16-5-1-3-14-4-2-6-21-17(14)16/h1-6,13H,7-12H2,(H,22,23,24)
InChIKeyMHTJCIWJCWCBPL-UHFFFAOYSA-N
XLogP2.49
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 139390026
CID 139390026
CID 5329484
CID 5329484
CID 877998
CID 877998
CID 4046493
CID 4046493
CID 10068521
CID 10068521
CID 10202829
CID 10202829
CID 10316876
CID 10316876
CID 16747960
CID 16747960
CID 16747961
CID 16747961
CID 16748211
CID 16748211
CID 22636319
CID 22636319
CID 23644667
CID 23644667

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-morpholin-4-yl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-morpholin-4-yl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine (CID 134702076) is 5-fluoro-4-morpholin-4-yl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-morpholin-4-yl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-morpholin-4-yl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine is Fc1cnc(NCCOc2cccc3cccnc23)nc1N1CCOCC1.
What is the InChIKey of 5-fluoro-4-morpholin-4-yl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine?
The InChIKey is MHTJCIWJCWCBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c20-15-13-23-19(24-18(15)25-8-11-26-12-9-25)22-7-10-27-16-5-1-3-14-4-2-6-21-17(14)16/h1-6,13H,7-12H2,(H,22,23,24).
What are the key properties of 5-fluoro-4-morpholin-4-yl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine?
5-fluoro-4-morpholin-4-yl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine has a molecular weight of 369.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-morpholin-4-yl-N-(2-quinolin-8-yloxyethyl)pyrimidin-2-amine is sourced from PubChem (CID 134702076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).