N-[4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-morpholin-4-ylacetamide

C23H23FN4O3 — CID 46192048

IUPACN-[4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-morpholin-4-ylacetamide
SMILESCOc1ccc(-c2cc(-c3ccc(F)cc3)nc(NC(=O)CN3CCOCC3)n2)cc1
InChIInChI=1S/C23H23FN4O3/c1-30-19-8-4-17(5-9-19)21-14-20(16-2-6-18(24)7-3-16)25-23(26-21)27-22(29)15-28-10-12-31-13-11-28/h2-9,14H,10-13,15H2,1H3,(H,25,26,27,29)
InChIKeyUVWZZILVQYSYHA-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.23
Rot. Bonds6

About N-[4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-morpholin-4-ylacetamide

N-[4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-morpholin-4-ylacetamide (PubChem CID 46192048) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-morpholin-4-ylacetamide
PubChem CID46192048
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC NameN-[4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-morpholin-4-ylacetamide
SMILESCOc1ccc(-c2cc(-c3ccc(F)cc3)nc(NC(=O)CN3CCOCC3)n2)cc1
InChIInChI=1S/C23H23FN4O3/c1-30-19-8-4-17(5-9-19)21-14-20(16-2-6-18(24)7-3-16)25-23(26-21)27-22(29)15-28-10-12-31-13-11-28/h2-9,14H,10-13,15H2,1H3,(H,25,26,27,29)
InChIKeyUVWZZILVQYSYHA-UHFFFAOYSA-N
XLogP3.23
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-morpholin-4-ylacetamide (CID 46192048) is N-[4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-morpholin-4-ylacetamide is COc1ccc(-c2cc(-c3ccc(F)cc3)nc(NC(=O)CN3CCOCC3)n2)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-morpholin-4-ylacetamide?
The InChIKey is UVWZZILVQYSYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-30-19-8-4-17(5-9-19)21-14-20(16-2-6-18(24)7-3-16)25-23(26-21)27-22(29)15-28-10-12-31-13-11-28/h2-9,14H,10-13,15H2,1H3,(H,25,26,27,29).
What are the key properties of N-[4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-morpholin-4-ylacetamide?
N-[4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-morpholin-4-ylacetamide has a molecular weight of 422.46 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 46192048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).