3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide

C12H19FN4O2 — CID 103879954

IUPAC3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide
SMILESCCc1ncnc(NCCC(=O)NCCOC)c1F
InChIInChI=1S/C12H19FN4O2/c1-3-9-11(13)12(17-8-16-9)15-5-4-10(18)14-6-7-19-2/h8H,3-7H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyFPKYFPTYWKFKEY-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.74
Rot. Bonds8

About 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide

3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide (PubChem CID 103879954) has the molecular formula C12H19FN4O2 and a molecular weight of 270.31 g/mol. Its IUPAC name is 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide
PubChem CID103879954
Molecular FormulaC12H19FN4O2
Molecular Weight270.31 g/mol
Exact Mass270.15
IUPAC Name3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide
SMILESCCc1ncnc(NCCC(=O)NCCOC)c1F
InChIInChI=1S/C12H19FN4O2/c1-3-9-11(13)12(17-8-16-9)15-5-4-10(18)14-6-7-19-2/h8H,3-7H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyFPKYFPTYWKFKEY-UHFFFAOYSA-N
XLogP0.74
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(6-Ethyl-5-fluoropyrimidin-4-yl)morpholine-3-carboxamide
CID 84597644
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-(6-ethyl-5-fluoropyrimidin-4-yl)-N-(oxetan-3-yl)azetidin-3-amine
CID 136571599
2-{[1-(6-Ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]amino}ethan-1-ol
CID 132376174
6-ethyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine
CID 90249316
6-tert-butyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine
CID 126724296
5-fluoro-N-(oxetan-3-yl)-6-propan-2-ylpyrimidin-4-amine
CID 134598554
1-(Azetidin-1-yl)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanone;ethane;trifluoro(methoxy)methane
CID 178126452
(2R)-1-(azetidin-1-yl)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propan-1-one
CID 178127103
6-ethyl-5-fluoro-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidin-4-amine
CID 75438012

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide (CID 103879954) is 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide is CCc1ncnc(NCCC(=O)NCCOC)c1F.
What is the InChIKey of 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is FPKYFPTYWKFKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O2/c1-3-9-11(13)12(17-8-16-9)15-5-4-10(18)14-6-7-19-2/h8H,3-7H2,1-2H3,(H,14,18)(H,15,16,17).
What are the key properties of 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide?
3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 270.31 g/mol, XLogP of 0.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 103879954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).