4-(2-fluorophenyl)-N-phenyl-N-propan-2-yl-2-thiomorpholin-4-ylpyrimidine-5-carboxamide

C24H25FN4OS — CID 59421277

IUPAC4-(2-fluorophenyl)-N-phenyl-N-propan-2-yl-2-thiomorpholin-4-ylpyrimidine-5-carboxamide
SMILESCC(C)N(C(=O)c1cnc(N2CCSCC2)nc1-c1ccccc1F)c1ccccc1
InChIInChI=1S/C24H25FN4OS/c1-17(2)29(18-8-4-3-5-9-18)23(30)20-16-26-24(28-12-14-31-15-13-28)27-22(20)19-10-6-7-11-21(19)25/h3-11,16-17H,12-15H2,1-2H3
InChIKeyYIHNXRVATZIGJA-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.89
Rot. Bonds5

About 4-(2-fluorophenyl)-N-phenyl-N-propan-2-yl-2-thiomorpholin-4-ylpyrimidine-5-carboxamide

4-(2-fluorophenyl)-N-phenyl-N-propan-2-yl-2-thiomorpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 59421277) has the molecular formula C24H25FN4OS and a molecular weight of 436.56 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-phenyl-N-propan-2-yl-2-thiomorpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-phenyl-N-propan-2-yl-2-thiomorpholin-4-ylpyrimidine-5-carboxamide
PubChem CID59421277
Molecular FormulaC24H25FN4OS
Molecular Weight436.56 g/mol
Exact Mass436.17
IUPAC Name4-(2-fluorophenyl)-N-phenyl-N-propan-2-yl-2-thiomorpholin-4-ylpyrimidine-5-carboxamide
SMILESCC(C)N(C(=O)c1cnc(N2CCSCC2)nc1-c1ccccc1F)c1ccccc1
InChIInChI=1S/C24H25FN4OS/c1-17(2)29(18-8-4-3-5-9-18)23(30)20-16-26-24(28-12-14-31-15-13-28)27-22(20)19-10-6-7-11-21(19)25/h3-11,16-17H,12-15H2,1-2H3
InChIKeyYIHNXRVATZIGJA-UHFFFAOYSA-N
XLogP4.89
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-phenyl-N-propan-2-yl-2-thiomorpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-N-phenyl-N-propan-2-yl-2-thiomorpholin-4-ylpyrimidine-5-carboxamide (CID 59421277) is 4-(2-fluorophenyl)-N-phenyl-N-propan-2-yl-2-thiomorpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-phenyl-N-propan-2-yl-2-thiomorpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-phenyl-N-propan-2-yl-2-thiomorpholin-4-ylpyrimidine-5-carboxamide is CC(C)N(C(=O)c1cnc(N2CCSCC2)nc1-c1ccccc1F)c1ccccc1.
What is the InChIKey of 4-(2-fluorophenyl)-N-phenyl-N-propan-2-yl-2-thiomorpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is YIHNXRVATZIGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4OS/c1-17(2)29(18-8-4-3-5-9-18)23(30)20-16-26-24(28-12-14-31-15-13-28)27-22(20)19-10-6-7-11-21(19)25/h3-11,16-17H,12-15H2,1-2H3.
What are the key properties of 4-(2-fluorophenyl)-N-phenyl-N-propan-2-yl-2-thiomorpholin-4-ylpyrimidine-5-carboxamide?
4-(2-fluorophenyl)-N-phenyl-N-propan-2-yl-2-thiomorpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-phenyl-N-propan-2-yl-2-thiomorpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 59421277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).