5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine

C17H21FN4O — CID 3686154

IUPAC5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
SMILESFc1ccc(-c2cnc(NCCCN3CCOCC3)nc2)cc1
InChIInChI=1S/C17H21FN4O/c18-16-4-2-14(3-5-16)15-12-20-17(21-13-15)19-6-1-7-22-8-10-23-11-9-22/h2-5,12-13H,1,6-11H2,(H,19,20,21)
InChIKeyDZDGKFQWIVBZLF-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.42
Rot. Bonds6

About 5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine

5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine (PubChem CID 3686154) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
PubChem CID3686154
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
SMILESFc1ccc(-c2cnc(NCCCN3CCOCC3)nc2)cc1
InChIInChI=1S/C17H21FN4O/c18-16-4-2-14(3-5-16)15-12-20-17(21-13-15)19-6-1-7-22-8-10-23-11-9-22/h2-5,12-13H,1,6-11H2,(H,19,20,21)
InChIKeyDZDGKFQWIVBZLF-UHFFFAOYSA-N
XLogP2.42
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine (CID 3686154) is 5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine is Fc1ccc(-c2cnc(NCCCN3CCOCC3)nc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine?
The InChIKey is DZDGKFQWIVBZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c18-16-4-2-14(3-5-16)15-12-20-17(21-13-15)19-6-1-7-22-8-10-23-11-9-22/h2-5,12-13H,1,6-11H2,(H,19,20,21).
What are the key properties of 5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine?
5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine has a molecular weight of 316.38 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 3686154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).