2-(4-fluorophenyl)-4-morpholin-4-yl-N-propylpyrimidine-5-carboxamide

C18H21FN4O2 — CID 42673833

IUPAC2-(4-fluorophenyl)-4-morpholin-4-yl-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(-c2ccc(F)cc2)nc1N1CCOCC1
InChIInChI=1S/C18H21FN4O2/c1-2-7-20-18(24)15-12-21-16(13-3-5-14(19)6-4-13)22-17(15)23-8-10-25-11-9-23/h3-6,12H,2,7-11H2,1H3,(H,20,24)
InChIKeyIKTOAFUVGRTYPS-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.26
Rot. Bonds5

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

2-(4-fluorophenyl)-4-morpholin-4-yl-N-propylpyrimidine-5-carboxamide (PubChem CID 42673833) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-morpholin-4-yl-N-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-morpholin-4-yl-N-propylpyrimidine-5-carboxamide
PubChem CID42673833
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name2-(4-fluorophenyl)-4-morpholin-4-yl-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(-c2ccc(F)cc2)nc1N1CCOCC1
InChIInChI=1S/C18H21FN4O2/c1-2-7-20-18(24)15-12-21-16(13-3-5-14(19)6-4-13)22-17(15)23-8-10-25-11-9-23/h3-6,12H,2,7-11H2,1H3,(H,20,24)
InChIKeyIKTOAFUVGRTYPS-UHFFFAOYSA-N
XLogP2.26
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-morpholin-4-yl-N-propylpyrimidine-5-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-4-morpholin-4-yl-N-propylpyrimidine-5-carboxamide (CID 42673833) is 2-(4-fluorophenyl)-4-morpholin-4-yl-N-propylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-4-morpholin-4-yl-N-propylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-4-morpholin-4-yl-N-propylpyrimidine-5-carboxamide is CCCNC(=O)c1cnc(-c2ccc(F)cc2)nc1N1CCOCC1.
What is the InChIKey of 2-(4-fluorophenyl)-4-morpholin-4-yl-N-propylpyrimidine-5-carboxamide?
The InChIKey is IKTOAFUVGRTYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-2-7-20-18(24)15-12-21-16(13-3-5-14(19)6-4-13)22-17(15)23-8-10-25-11-9-23/h3-6,12H,2,7-11H2,1H3,(H,20,24).
What are the key properties of 2-(4-fluorophenyl)-4-morpholin-4-yl-N-propylpyrimidine-5-carboxamide?
2-(4-fluorophenyl)-4-morpholin-4-yl-N-propylpyrimidine-5-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-morpholin-4-yl-N-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 42673833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).