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

C19H23FN4O2 — CID 42673828

IUPAC2-(4-fluorophenyl)-N-(2-methylpropyl)-4-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCC(C)CNC(=O)c1cnc(-c2ccc(F)cc2)nc1N1CCOCC1
InChIInChI=1S/C19H23FN4O2/c1-13(2)11-22-19(25)16-12-21-17(14-3-5-15(20)6-4-14)23-18(16)24-7-9-26-10-8-24/h3-6,12-13H,7-11H2,1-2H3,(H,22,25)
InChIKeyGAWPXQLXBCBNNJ-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.51
Rot. Bonds5

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

2-(4-fluorophenyl)-N-(2-methylpropyl)-4-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 42673828) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(2-methylpropyl)-4-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID42673828
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name2-(4-fluorophenyl)-N-(2-methylpropyl)-4-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCC(C)CNC(=O)c1cnc(-c2ccc(F)cc2)nc1N1CCOCC1
InChIInChI=1S/C19H23FN4O2/c1-13(2)11-22-19(25)16-12-21-17(14-3-5-15(20)6-4-14)23-18(16)24-7-9-26-10-8-24/h3-6,12-13H,7-11H2,1-2H3,(H,22,25)
InChIKeyGAWPXQLXBCBNNJ-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-morpholin-4-ylpyrimidine-5-carboxamide (CID 42673828) is 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-morpholin-4-ylpyrimidine-5-carboxamide is CC(C)CNC(=O)c1cnc(-c2ccc(F)cc2)nc1N1CCOCC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is GAWPXQLXBCBNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-13(2)11-22-19(25)16-12-21-17(14-3-5-15(20)6-4-14)23-18(16)24-7-9-26-10-8-24/h3-6,12-13H,7-11H2,1-2H3,(H,22,25).
What are the key properties of 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-morpholin-4-ylpyrimidine-5-carboxamide?
2-(4-fluorophenyl)-N-(2-methylpropyl)-4-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 42673828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).