N-butyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide

C19H23FN4O2 — CID 59421255

IUPACN-butyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCCCCNC(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F
InChIInChI=1S/C19H23FN4O2/c1-2-3-8-21-18(25)15-13-22-19(24-9-11-26-12-10-24)23-17(15)14-6-4-5-7-16(14)20/h4-7,13H,2-3,8-12H2,1H3,(H,21,25)
InChIKeyGDIRJBVPRVYPMH-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.65
Rot. Bonds6

About N-butyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide

N-butyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 59421255) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is N-butyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID59421255
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC NameN-butyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCCCCNC(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F
InChIInChI=1S/C19H23FN4O2/c1-2-3-8-21-18(25)15-13-22-19(24-9-11-26-12-10-24)23-17(15)14-6-4-5-7-16(14)20/h4-7,13H,2-3,8-12H2,1H3,(H,21,25)
InChIKeyGDIRJBVPRVYPMH-UHFFFAOYSA-N
XLogP2.65
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.65
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 N-butyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-butyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 59421255) is N-butyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-butyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-butyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide is CCCCNC(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F.
What is the InChIKey of N-butyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is GDIRJBVPRVYPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-2-3-8-21-18(25)15-13-22-19(24-9-11-26-12-10-24)23-17(15)14-6-4-5-7-16(14)20/h4-7,13H,2-3,8-12H2,1H3,(H,21,25).
What are the key properties of N-butyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
N-butyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 59421255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).