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

C11H17FN4O — CID 103879766

IUPAC2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1ncnc(CC)c1F
InChIInChI=1S/C11H17FN4O/c1-3-5-13-9(17)6-14-11-10(12)8(4-2)15-7-16-11/h7H,3-6H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyIOLHJOMNDYMUHG-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.12
Rot. Bonds6

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

2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propylacetamide (PubChem CID 103879766) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propylacetamide
PubChem CID103879766
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1ncnc(CC)c1F
InChIInChI=1S/C11H17FN4O/c1-3-5-13-9(17)6-14-11-10(12)8(4-2)15-7-16-11/h7H,3-6H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyIOLHJOMNDYMUHG-UHFFFAOYSA-N
XLogP1.12
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-{[6-(2-aminoethyl)pyrimidin-4-yl]amino}-N-(tert-butyl)acetamide
CID 56702333
N~2~-(2-amino-5-ethyl-6-methylpyrimidin-4-yl)-N~1~-cyclopropylglycinamide
CID 72889417
2-[Ethyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide
CID 100690449
4-(6-Ethyl-5-fluoropyrimidin-4-yl)piperazin-2-one
CID 121020662
1-[1-(6-Ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]-3-methylurea
CID 121537353
1-(Azetidin-1-yl)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanone;ethane;trifluoro(methoxy)methane
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1-(azetidin-1-yl)-2-[(6-propylpyrimidin-4-yl)amino]ethanone;(E)-1-fluoroprop-1-ene;trifluoromethanol
CID 178126507
1-(Azetidin-1-yl)-2-[[6-[3-(difluoromethyl)but-3-enyl]-5-fluoropyrimidin-4-yl]amino]ethanone;1,1-difluoroethanol;methanol
CID 178126630
(2R)-2-[[6-(3-fluorobut-3-enyl)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 178126666
1-(azetidin-1-yl)-2-[(5-fluoro-6-propylpyrimidin-4-yl)amino]ethanone;methanol;(E)-pent-2-ene;trifluoro(methoxy)methane
CID 178126730

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propylacetamide?
The IUPAC name of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propylacetamide (CID 103879766) is 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propylacetamide is CCCNC(=O)CNc1ncnc(CC)c1F.
What is the InChIKey of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propylacetamide?
The InChIKey is IOLHJOMNDYMUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O/c1-3-5-13-9(17)6-14-11-10(12)8(4-2)15-7-16-11/h7H,3-6H2,1-2H3,(H,13,17)(H,14,15,16).
What are the key properties of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propylacetamide?
2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propylacetamide has a molecular weight of 240.28 g/mol, XLogP of 1.12, 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-propylacetamide is sourced from PubChem (CID 103879766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).