2-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide

C19H24FN5O2 — CID 109253062

IUPAC2-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cnc(NCCc2ccc(F)cc2)nc1
InChIInChI=1S/C19H24FN5O2/c20-17-3-1-15(2-4-17)5-6-22-19-23-13-16(14-24-19)18(26)21-7-8-25-9-11-27-12-10-25/h1-4,13-14H,5-12H2,(H,21,26)(H,22,23,24)
InChIKeyZQMCXLIIOIZZRY-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.33
Rot. Bonds8

About 2-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide

2-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide (PubChem CID 109253062) has the molecular formula C19H24FN5O2 and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
PubChem CID109253062
Molecular FormulaC19H24FN5O2
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC Name2-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cnc(NCCc2ccc(F)cc2)nc1
InChIInChI=1S/C19H24FN5O2/c20-17-3-1-15(2-4-17)5-6-22-19-23-13-16(14-24-19)18(26)21-7-8-25-9-11-27-12-10-25/h1-4,13-14H,5-12H2,(H,21,26)(H,22,23,24)
InChIKeyZQMCXLIIOIZZRY-UHFFFAOYSA-N
XLogP1.33
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide
CID 109253198
6-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109154121
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045881
5-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109185666
2-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109167930
N-[2-(2-fluorophenyl)ethyl]-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide
CID 109253197
N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109154118
2-[2-(4-fluorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252355
N-benzyl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide
CID 109255233
N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109257138
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide
CID 109253190
2-(cyclopentylamino)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 109249721

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide (CID 109253062) is 2-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide is O=C(NCCN1CCOCC1)c1cnc(NCCc2ccc(F)cc2)nc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
The InChIKey is ZQMCXLIIOIZZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O2/c20-17-3-1-15(2-4-17)5-6-22-19-23-13-16(14-24-19)18(26)21-7-8-25-9-11-27-12-10-25/h1-4,13-14H,5-12H2,(H,21,26)(H,22,23,24).
What are the key properties of 2-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
2-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109253062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).