2-[[4-chloro-6-[2-(3-fluorophenyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol

C18H24ClFN4O — CID 174242883

IUPAC2-[[4-chloro-6-[2-(3-fluorophenyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)Nc1nc(Cl)nc(CC(C)c2cccc(F)c2)n1
InChIInChI=1S/C18H24ClFN4O/c1-11(2)7-15(10-25)21-18-23-16(22-17(19)24-18)8-12(3)13-5-4-6-14(20)9-13/h4-6,9,11-12,15,25H,7-8,10H2,1-3H3,(H,21,22,23,24)
InChIKeyZGODBXFEBUXONY-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.83
Rot. Bonds8

About 2-[[4-chloro-6-[2-(3-fluorophenyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol

2-[[4-chloro-6-[2-(3-fluorophenyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol (PubChem CID 174242883) has the molecular formula C18H24ClFN4O and a molecular weight of 366.87 g/mol. Its IUPAC name is 2-[[4-chloro-6-[2-(3-fluorophenyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[[4-chloro-6-[2-(3-fluorophenyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
PubChem CID174242883
Molecular FormulaC18H24ClFN4O
Molecular Weight366.87 g/mol
Exact Mass366.16
IUPAC Name2-[[4-chloro-6-[2-(3-fluorophenyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)Nc1nc(Cl)nc(CC(C)c2cccc(F)c2)n1
InChIInChI=1S/C18H24ClFN4O/c1-11(2)7-15(10-25)21-18-23-16(22-17(19)24-18)8-12(3)13-5-4-6-14(20)9-13/h4-6,9,11-12,15,25H,7-8,10H2,1-3H3,(H,21,22,23,24)
InChIKeyZGODBXFEBUXONY-UHFFFAOYSA-N
XLogP3.83
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-chloro-6-[2-(3-fluorophenyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol with MolForge

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Related Compounds

2-[[4-chloro-6-[2-(3-fluoro-4-methylphenyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
CID 174242870
2-[[4-chloro-6-[2-(4-chloro-2,3-difluorophenyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
CID 174242881
2-[[4-chloro-6-[2-(5-chloro-2-pyridinyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
CID 174242875
N-[4-[(2S)-2-(2-fluoro-4-pyridinyl)propyl]-6-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-1,3,5-triazin-2-yl]methanesulfonamide
CID 171522478
N-[4-[(1-hydroxy-4-methylpentan-2-yl)amino]-6-[2-(3,4,5-trifluorophenyl)propyl]-1,3,5-triazin-2-yl]methanesulfonamide
CID 174242845
N-[4-[2-[3-fluoro-4-(hydroxymethyl)phenyl]propyl]-6-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-1,3,5-triazin-2-yl]methanesulfonamide
CID 171522364
N-[4-[2-(2,3-difluorophenyl)propyl]-6-[(1-hydroxy-4-methylpentan-2-yl)amino]-1,3,5-triazin-2-yl]methanesulfonamide
CID 174242745
2-[1-(3-fluorophenyl)ethylamino]-4-methylpentan-1-ol
CID 61247130
N-[4-[2-(4-cyanophenyl)propyl]-6-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-1,3,5-triazin-2-yl]methanesulfonamide
CID 171522466
N-[4-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-6-[2-(4-methoxyphenyl)propyl]-1,3,5-triazin-2-yl]methanesulfonamide
CID 171522482
2-[1-(3-fluorophenyl)propylamino]-4-methylpentan-1-ol
CID 114871461
N-[4-[2-(2-fluoro-3-methoxyphenyl)propyl]-6-[(1-hydroxy-4-methylpentan-2-yl)amino]-1,3,5-triazin-2-yl]methanesulfonamide
CID 174242917

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-[2-(3-fluorophenyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol?
The IUPAC name of 2-[[4-chloro-6-[2-(3-fluorophenyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol (CID 174242883) is 2-[[4-chloro-6-[2-(3-fluorophenyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[[4-chloro-6-[2-(3-fluorophenyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[[4-chloro-6-[2-(3-fluorophenyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol is CC(C)CC(CO)Nc1nc(Cl)nc(CC(C)c2cccc(F)c2)n1.
What is the InChIKey of 2-[[4-chloro-6-[2-(3-fluorophenyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol?
The InChIKey is ZGODBXFEBUXONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClFN4O/c1-11(2)7-15(10-25)21-18-23-16(22-17(19)24-18)8-12(3)13-5-4-6-14(20)9-13/h4-6,9,11-12,15,25H,7-8,10H2,1-3H3,(H,21,22,23,24).
What are the key properties of 2-[[4-chloro-6-[2-(3-fluorophenyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol?
2-[[4-chloro-6-[2-(3-fluorophenyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol has a molecular weight of 366.87 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-[2-(3-fluorophenyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol is sourced from PubChem (CID 174242883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).