2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propylpropanamide

C12H19FN4O — CID 103879769

IUPAC2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ncnc(CC)c1F
InChIInChI=1S/C12H19FN4O/c1-4-6-14-12(18)8(3)17-11-10(13)9(5-2)15-7-16-11/h7-8H,4-6H2,1-3H3,(H,14,18)(H,15,16,17)
InChIKeyWJRDDFVXLFSXQK-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.50
Rot. Bonds6

About 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propylpropanamide

2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propylpropanamide (PubChem CID 103879769) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propylpropanamide
PubChem CID103879769
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC Name2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ncnc(CC)c1F
InChIInChI=1S/C12H19FN4O/c1-4-6-14-12(18)8(3)17-11-10(13)9(5-2)15-7-16-11/h7-8H,4-6H2,1-3H3,(H,14,18)(H,15,16,17)
InChIKeyWJRDDFVXLFSXQK-UHFFFAOYSA-N
XLogP1.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propylpropanamide (CID 103879769) is 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propylpropanamide is CCCNC(=O)C(C)Nc1ncnc(CC)c1F.
What is the InChIKey of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propylpropanamide?
The InChIKey is WJRDDFVXLFSXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-4-6-14-12(18)8(3)17-11-10(13)9(5-2)15-7-16-11/h7-8H,4-6H2,1-3H3,(H,14,18)(H,15,16,17).
What are the key properties of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propylpropanamide?
2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propylpropanamide has a molecular weight of 254.31 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 103879769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).