3-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-one

C14H20FN5O — CID 166860057

IUPAC3-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-one
SMILESCCNc1nc(NC(C)C)nc(C2=C(F)C(=O)CCC2)n1
InChIInChI=1S/C14H20FN5O/c1-4-16-13-18-12(19-14(20-13)17-8(2)3)9-6-5-7-10(21)11(9)15/h8H,4-7H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyFQSQNCXIUXOHJY-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.56
Rot. Bonds5

About 3-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-one

3-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-one (PubChem CID 166860057) has the molecular formula C14H20FN5O and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-one.

Molecular Properties

Compound Name3-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-one
PubChem CID166860057
Molecular FormulaC14H20FN5O
Molecular Weight293.35 g/mol
Exact Mass293.17
IUPAC Name3-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-one
SMILESCCNc1nc(NC(C)C)nc(C2=C(F)C(=O)CCC2)n1
InChIInChI=1S/C14H20FN5O/c1-4-16-13-18-12(19-14(20-13)17-8(2)3)9-6-5-7-10(21)11(9)15/h8H,4-7H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyFQSQNCXIUXOHJY-UHFFFAOYSA-N
XLogP2.56
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

Analyze 3-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-3-[4-[(3S)-4,4,4-trifluoro-3-methylbutyl]-6-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-one
CID 138469327
[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylcyanamide
CID 910908
[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-propan-2-ylcyanamide
CID 2982680
2-[cyano-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide
CID 658316
6-(2-aminoethoxy)-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 14341539
2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate
CID 2055041
N-[4-(propan-2-ylamino)-6-(propylamino)-1,3,5-triazin-2-yl]hydroxylamine
CID 90175544
2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80780226
4-N-ethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 32802034
6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione
CID 90133693
(1R)-2-fluoro-3-[4-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
CID 166860188
6-chloro-4-N-ethyl-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 14822093

Frequently Asked Questions

What is the IUPAC name of 3-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-one?
The IUPAC name of 3-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-one (CID 166860057) is 3-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-one.
What is the SMILES notation for 3-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-one?
The canonical SMILES for 3-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-one is CCNc1nc(NC(C)C)nc(C2=C(F)C(=O)CCC2)n1.
What is the InChIKey of 3-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-one?
The InChIKey is FQSQNCXIUXOHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN5O/c1-4-16-13-18-12(19-14(20-13)17-8(2)3)9-6-5-7-10(21)11(9)15/h8H,4-7H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of 3-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-one?
3-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-one has a molecular weight of 293.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-one is sourced from PubChem (CID 166860057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).