2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide

C13H22FN5O — CID 80805960

IUPAC2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1nc(NCC)ncc1F
InChIInChI=1S/C13H22FN5O/c1-5-7-19(9-11(20)18(3)4)12-10(14)8-16-13(17-12)15-6-2/h8H,5-7,9H2,1-4H3,(H,15,16,17)
InChIKeySEHQXZONJPYJOL-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.35
Rot. Bonds7

About 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide

2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide (PubChem CID 80805960) has the molecular formula C13H22FN5O and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide
PubChem CID80805960
Molecular FormulaC13H22FN5O
Molecular Weight283.35 g/mol
Exact Mass283.18
IUPAC Name2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1nc(NCC)ncc1F
InChIInChI=1S/C13H22FN5O/c1-5-7-19(9-11(20)18(3)4)12-10(14)8-16-13(17-12)15-6-2/h8H,5-7,9H2,1-4H3,(H,15,16,17)
InChIKeySEHQXZONJPYJOL-UHFFFAOYSA-N
XLogP1.35
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide (CID 80805960) is 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)c1nc(NCC)ncc1F.
What is the InChIKey of 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide?
The InChIKey is SEHQXZONJPYJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN5O/c1-5-7-19(9-11(20)18(3)4)12-10(14)8-16-13(17-12)15-6-2/h8H,5-7,9H2,1-4H3,(H,15,16,17).
What are the key properties of 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide?
2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide has a molecular weight of 283.35 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 80805960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).