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

C19H26ClFN4O — CID 174242870

IUPAC2-[[4-chloro-6-[2-(3-fluoro-4-methylphenyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
SMILESCc1ccc(C(C)Cc2nc(Cl)nc(NC(CO)CC(C)C)n2)cc1F
InChIInChI=1S/C19H26ClFN4O/c1-11(2)7-15(10-26)22-19-24-17(23-18(20)25-19)8-13(4)14-6-5-12(3)16(21)9-14/h5-6,9,11,13,15,26H,7-8,10H2,1-4H3,(H,22,23,24,25)
InChIKeyWTWXCUUFINUREG-UHFFFAOYSA-N
MW380.90 g/mol
LogP4.14
Rot. Bonds8

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

2-[[4-chloro-6-[2-(3-fluoro-4-methylphenyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol (PubChem CID 174242870) has the molecular formula C19H26ClFN4O and a molecular weight of 380.90 g/mol. Its IUPAC name is 2-[[4-chloro-6-[2-(3-fluoro-4-methylphenyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[[4-chloro-6-[2-(3-fluoro-4-methylphenyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
PubChem CID174242870
Molecular FormulaC19H26ClFN4O
Molecular Weight380.90 g/mol
Exact Mass380.18
IUPAC Name2-[[4-chloro-6-[2-(3-fluoro-4-methylphenyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
SMILESCc1ccc(C(C)Cc2nc(Cl)nc(NC(CO)CC(C)C)n2)cc1F
InChIInChI=1S/C19H26ClFN4O/c1-11(2)7-15(10-26)22-19-24-17(23-18(20)25-19)8-13(4)14-6-5-12(3)16(21)9-14/h5-6,9,11,13,15,26H,7-8,10H2,1-4H3,(H,22,23,24,25)
InChIKeyWTWXCUUFINUREG-UHFFFAOYSA-N
XLogP4.14
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-chloro-6-[2-(3-fluorophenyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
CID 174242883
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-[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-[(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-[(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-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-6-[2-(4-methoxyphenyl)propyl]-1,3,5-triazin-2-yl]methanesulfonamide
CID 171522482
N-[4-[2-(2,6-difluorophenyl)propyl]-6-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-1,3,5-triazin-2-yl]methanesulfonamide
CID 171522404
N-[4-[2-(2,3-difluorophenyl)propyl]-6-[(1-hydroxy-4-methylpentan-2-yl)amino]-1,3,5-triazin-2-yl]methanesulfonamide
CID 174242745
N-[4-[1-[4-[(1-hydroxy-4-methylpentan-2-yl)amino]-6-(methanesulfonamido)-1,3,5-triazin-2-yl]propan-2-yl]phenyl]acetamide
CID 174242854
N-[4-[2-[6-(difluoromethoxy)-3-pyridinyl]propyl]-6-[(1-hydroxy-4-methylpentan-2-yl)amino]-1,3,5-triazin-2-yl]methanesulfonamide
CID 174242848
N-[4-[2-(1,3-benzodioxol-5-yl)propyl]-6-[(1-hydroxy-4-methylpentan-2-yl)amino]-1,3,5-triazin-2-yl]methanesulfonamide
CID 174242905

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-[2-(3-fluoro-4-methylphenyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol?
The IUPAC name of 2-[[4-chloro-6-[2-(3-fluoro-4-methylphenyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol (CID 174242870) is 2-[[4-chloro-6-[2-(3-fluoro-4-methylphenyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[[4-chloro-6-[2-(3-fluoro-4-methylphenyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[[4-chloro-6-[2-(3-fluoro-4-methylphenyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol is Cc1ccc(C(C)Cc2nc(Cl)nc(NC(CO)CC(C)C)n2)cc1F.
What is the InChIKey of 2-[[4-chloro-6-[2-(3-fluoro-4-methylphenyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol?
The InChIKey is WTWXCUUFINUREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClFN4O/c1-11(2)7-15(10-26)22-19-24-17(23-18(20)25-19)8-13(4)14-6-5-12(3)16(21)9-14/h5-6,9,11,13,15,26H,7-8,10H2,1-4H3,(H,22,23,24,25).
What are the key properties of 2-[[4-chloro-6-[2-(3-fluoro-4-methylphenyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol?
2-[[4-chloro-6-[2-(3-fluoro-4-methylphenyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol has a molecular weight of 380.90 g/mol, XLogP of 4.14, 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-fluoro-4-methylphenyl)propyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol is sourced from PubChem (CID 174242870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).