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

C22H27FN4O2 — CID 59421131

IUPAC4-(2-fluorophenyl)-N-(2-methylcyclohexyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCC1CCCCC1NC(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F
InChIInChI=1S/C22H27FN4O2/c1-15-6-2-5-9-19(15)25-21(28)17-14-24-22(27-10-12-29-13-11-27)26-20(17)16-7-3-4-8-18(16)23/h3-4,7-8,14-15,19H,2,5-6,9-13H2,1H3,(H,25,28)
InChIKeyIJGIBRNLAMGMBG-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.43
Rot. Bonds4

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

4-(2-fluorophenyl)-N-(2-methylcyclohexyl)-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 59421131) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-(2-methylcyclohexyl)-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-(2-methylcyclohexyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID59421131
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC Name4-(2-fluorophenyl)-N-(2-methylcyclohexyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCC1CCCCC1NC(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F
InChIInChI=1S/C22H27FN4O2/c1-15-6-2-5-9-19(15)25-21(28)17-14-24-22(27-10-12-29-13-11-27)26-20(17)16-7-3-4-8-18(16)23/h3-4,7-8,14-15,19H,2,5-6,9-13H2,1H3,(H,25,28)
InChIKeyIJGIBRNLAMGMBG-UHFFFAOYSA-N
XLogP3.43
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-(2-methylcyclohexyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-N-(2-methylcyclohexyl)-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 59421131) is 4-(2-fluorophenyl)-N-(2-methylcyclohexyl)-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-(2-methylcyclohexyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-(2-methylcyclohexyl)-2-morpholin-4-ylpyrimidine-5-carboxamide is CC1CCCCC1NC(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-N-(2-methylcyclohexyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is IJGIBRNLAMGMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c1-15-6-2-5-9-19(15)25-21(28)17-14-24-22(27-10-12-29-13-11-27)26-20(17)16-7-3-4-8-18(16)23/h3-4,7-8,14-15,19H,2,5-6,9-13H2,1H3,(H,25,28).
What are the key properties of 4-(2-fluorophenyl)-N-(2-methylcyclohexyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
4-(2-fluorophenyl)-N-(2-methylcyclohexyl)-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-(2-methylcyclohexyl)-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 59421131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).