4-(4-fluorophenyl)-5-(2-morpholin-4-ylethyl)pyrimidin-2-amine

C16H19FN4O — CID 3578049

IUPAC4-(4-fluorophenyl)-5-(2-morpholin-4-ylethyl)pyrimidin-2-amine
SMILESNc1ncc(CCN2CCOCC2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H19FN4O/c17-14-3-1-12(2-4-14)15-13(11-19-16(18)20-15)5-6-21-7-9-22-10-8-21/h1-4,11H,5-10H2,(H2,18,19,20)
InChIKeyILJVOWRGTDRVHD-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.74
Rot. Bonds4

About 4-(4-fluorophenyl)-5-(2-morpholin-4-ylethyl)pyrimidin-2-amine

4-(4-fluorophenyl)-5-(2-morpholin-4-ylethyl)pyrimidin-2-amine (PubChem CID 3578049) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(2-morpholin-4-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(2-morpholin-4-ylethyl)pyrimidin-2-amine
PubChem CID3578049
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name4-(4-fluorophenyl)-5-(2-morpholin-4-ylethyl)pyrimidin-2-amine
SMILESNc1ncc(CCN2CCOCC2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H19FN4O/c17-14-3-1-12(2-4-14)15-13(11-19-16(18)20-15)5-6-21-7-9-22-10-8-21/h1-4,11H,5-10H2,(H2,18,19,20)
InChIKeyILJVOWRGTDRVHD-UHFFFAOYSA-N
XLogP1.74
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(2-morpholin-4-ylethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-5-(2-morpholin-4-ylethyl)pyrimidin-2-amine (CID 3578049) is 4-(4-fluorophenyl)-5-(2-morpholin-4-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(2-morpholin-4-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-5-(2-morpholin-4-ylethyl)pyrimidin-2-amine is Nc1ncc(CCN2CCOCC2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(2-morpholin-4-ylethyl)pyrimidin-2-amine?
The InChIKey is ILJVOWRGTDRVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c17-14-3-1-12(2-4-14)15-13(11-19-16(18)20-15)5-6-21-7-9-22-10-8-21/h1-4,11H,5-10H2,(H2,18,19,20).
What are the key properties of 4-(4-fluorophenyl)-5-(2-morpholin-4-ylethyl)pyrimidin-2-amine?
4-(4-fluorophenyl)-5-(2-morpholin-4-ylethyl)pyrimidin-2-amine has a molecular weight of 302.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(2-morpholin-4-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 3578049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).