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

C11H17FN4O — CID 113344286

IUPACN-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide
SMILESCCNC(=O)C(C)Nc1ncnc(CC)c1F
InChIInChI=1S/C11H17FN4O/c1-4-8-9(12)10(15-6-14-8)16-7(3)11(17)13-5-2/h6-7H,4-5H2,1-3H3,(H,13,17)(H,14,15,16)
InChIKeyRXJVGQBIRFJMLT-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.11
Rot. Bonds5

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

N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide (PubChem CID 113344286) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide
PubChem CID113344286
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC NameN-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide
SMILESCCNC(=O)C(C)Nc1ncnc(CC)c1F
InChIInChI=1S/C11H17FN4O/c1-4-8-9(12)10(15-6-14-8)16-7(3)11(17)13-5-2/h6-7H,4-5H2,1-3H3,(H,13,17)(H,14,15,16)
InChIKeyRXJVGQBIRFJMLT-UHFFFAOYSA-N
XLogP1.11
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-Ethyl-5-fluoropyrimidin-4-yl)morpholine-3-carboxamide
CID 84597644
2-(Dimethylamino)-1-[4-(propan-2-ylamino)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]ethanone
CID 97516503
2-[4-(cyclobutylamino)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-N,N-dimethylacetamide
CID 97516742
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
(2S)-N,N-dimethyl-2-[(2-methyl-6-propylpyrimidin-4-yl)amino]propanamide
CID 95126128
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
(3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one
CID 128563070
(1S,6S)-6-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohex-3-ene-1-carboxamide
CID 164631446
1-(Azetidin-1-yl)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanone;ethane;trifluoro(methoxy)methane
CID 178126452

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide?
The IUPAC name of N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide (CID 113344286) is N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide is CCNC(=O)C(C)Nc1ncnc(CC)c1F.
What is the InChIKey of N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide?
The InChIKey is RXJVGQBIRFJMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O/c1-4-8-9(12)10(15-6-14-8)16-7(3)11(17)13-5-2/h6-7H,4-5H2,1-3H3,(H,13,17)(H,14,15,16).
What are the key properties of N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide?
N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide has a molecular weight of 240.28 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 113344286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).