N-butan-2-yl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide

C19H23FN4O2 — CID 59421162

IUPACN-butan-2-yl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCCC(C)NC(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F
InChIInChI=1S/C19H23FN4O2/c1-3-13(2)22-18(25)15-12-21-19(24-8-10-26-11-9-24)23-17(15)14-6-4-5-7-16(14)20/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,25)
InChIKeyFQUHYTNHLMSXEZ-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.65
Rot. Bonds5

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

N-butan-2-yl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 59421162) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is N-butan-2-yl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID59421162
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC NameN-butan-2-yl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCCC(C)NC(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F
InChIInChI=1S/C19H23FN4O2/c1-3-13(2)22-18(25)15-12-21-19(24-8-10-26-11-9-24)23-17(15)14-6-4-5-7-16(14)20/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,25)
InChIKeyFQUHYTNHLMSXEZ-UHFFFAOYSA-N
XLogP2.65
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

Analyze N-butan-2-yl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-butan-2-yl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 59421162) is N-butan-2-yl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-butan-2-yl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide is CCC(C)NC(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F.
What is the InChIKey of N-butan-2-yl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is FQUHYTNHLMSXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-3-13(2)22-18(25)15-12-21-19(24-8-10-26-11-9-24)23-17(15)14-6-4-5-7-16(14)20/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,25).
What are the key properties of N-butan-2-yl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
N-butan-2-yl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 59421162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).