2-fluoro-3-[4-methyl-6-[(2-methylpropan-2-yl)oxyamino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol

C14H21FN4O2 — CID 138469341

IUPAC2-fluoro-3-[4-methyl-6-[(2-methylpropan-2-yl)oxyamino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
SMILESCc1nc(NOC(C)(C)C)nc(C2=C(F)C(O)CCC2)n1
InChIInChI=1S/C14H21FN4O2/c1-8-16-12(9-6-5-7-10(20)11(9)15)18-13(17-8)19-21-14(2,3)4/h10,20H,5-7H2,1-4H3,(H,16,17,18,19)
InChIKeyZAPDCJPHOCTVBA-UHFFFAOYSA-N
MW296.35 g/mol
LogP2.55
Rot. Bonds3

About 2-fluoro-3-[4-methyl-6-[(2-methylpropan-2-yl)oxyamino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol

2-fluoro-3-[4-methyl-6-[(2-methylpropan-2-yl)oxyamino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol (PubChem CID 138469341) has the molecular formula C14H21FN4O2 and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-fluoro-3-[4-methyl-6-[(2-methylpropan-2-yl)oxyamino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name2-fluoro-3-[4-methyl-6-[(2-methylpropan-2-yl)oxyamino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
PubChem CID138469341
Molecular FormulaC14H21FN4O2
Molecular Weight296.35 g/mol
Exact Mass296.16
IUPAC Name2-fluoro-3-[4-methyl-6-[(2-methylpropan-2-yl)oxyamino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
SMILESCc1nc(NOC(C)(C)C)nc(C2=C(F)C(O)CCC2)n1
InChIInChI=1S/C14H21FN4O2/c1-8-16-12(9-6-5-7-10(20)11(9)15)18-13(17-8)19-21-14(2,3)4/h10,20H,5-7H2,1-4H3,(H,16,17,18,19)
InChIKeyZAPDCJPHOCTVBA-UHFFFAOYSA-N
XLogP2.55
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-fluoro-3-[4-methyl-6-[(2-methylpropan-2-yl)oxyamino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol 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

(1S)-2-fluoro-3-[4-(1,1,1-trifluoropropan-2-ylamino)-6-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-1,3,5-triazin-2-yl]cyclohept-2-en-1-ol
CID 162445395
3-[4-(cyclobutylamino)-6-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-ol
CID 162445333
2-fluoro-3-[4-[(2-hydroxy-2-methylpropyl)amino]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
CID 138469230
3-[4-[(3,3-difluorocyclobutyl)amino]-6-[(3-fluoro-3-methylcyclobutyl)amino]-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-ol
CID 162483946
(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
2-fluoro-3-[4-(3-methylbutyl)-6-(propylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
CID 138468946
2-fluoro-3-[4-(3-methylbutyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
CID 138469046
3-[4-amino-6-(1,1,3-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-ol
CID 175486048
3-[4-chloro-6-(1,1,3-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-ol
CID 175486062
(1S)-1-deuterio-2,6,6-trifluoro-3-[4-[(2-methylpropan-2-yl)oxyamino]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
CID 159014984
2-fluoro-3-[4-(propan-2-ylamino)-6-(pyrazolo[1,5-a]pyridin-6-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
CID 138469190
3-[4-amino-6-[(3S)-4,4,4-trifluoro-3-methylbutyl]-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-ol
CID 138469036

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[4-methyl-6-[(2-methylpropan-2-yl)oxyamino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol?
The IUPAC name of 2-fluoro-3-[4-methyl-6-[(2-methylpropan-2-yl)oxyamino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol (CID 138469341) is 2-fluoro-3-[4-methyl-6-[(2-methylpropan-2-yl)oxyamino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol.
What is the SMILES notation for 2-fluoro-3-[4-methyl-6-[(2-methylpropan-2-yl)oxyamino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol?
The canonical SMILES for 2-fluoro-3-[4-methyl-6-[(2-methylpropan-2-yl)oxyamino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol is Cc1nc(NOC(C)(C)C)nc(C2=C(F)C(O)CCC2)n1.
What is the InChIKey of 2-fluoro-3-[4-methyl-6-[(2-methylpropan-2-yl)oxyamino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol?
The InChIKey is ZAPDCJPHOCTVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O2/c1-8-16-12(9-6-5-7-10(20)11(9)15)18-13(17-8)19-21-14(2,3)4/h10,20H,5-7H2,1-4H3,(H,16,17,18,19).
What are the key properties of 2-fluoro-3-[4-methyl-6-[(2-methylpropan-2-yl)oxyamino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol?
2-fluoro-3-[4-methyl-6-[(2-methylpropan-2-yl)oxyamino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol has a molecular weight of 296.35 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[4-methyl-6-[(2-methylpropan-2-yl)oxyamino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol is sourced from PubChem (CID 138469341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).