5-[[4-(3-fluoroanilino)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol

C23H28FN5O2 — CID 11316243

IUPAC5-[[4-(3-fluoroanilino)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
SMILESCOc1ccc(Cc2nc(NCC(C)CCCO)nc(Nc3cccc(F)c3)n2)cc1
InChIInChI=1S/C23H28FN5O2/c1-16(5-4-12-30)15-25-22-27-21(13-17-8-10-20(31-2)11-9-17)28-23(29-22)26-19-7-3-6-18(24)14-19/h3,6-11,14,16,30H,4-5,12-13,15H2,1-2H3,(H2,25,26,27,28,29)
InChIKeyDAHZVHHVTJOHAO-UHFFFAOYSA-N
MW425.51 g/mol
LogP4.17
Rot. Bonds11

About 5-[[4-(3-fluoroanilino)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol

5-[[4-(3-fluoroanilino)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol (PubChem CID 11316243) has the molecular formula C23H28FN5O2 and a molecular weight of 425.51 g/mol. Its IUPAC name is 5-[[4-(3-fluoroanilino)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name5-[[4-(3-fluoroanilino)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
PubChem CID11316243
Molecular FormulaC23H28FN5O2
Molecular Weight425.51 g/mol
Exact Mass425.22
IUPAC Name5-[[4-(3-fluoroanilino)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
SMILESCOc1ccc(Cc2nc(NCC(C)CCCO)nc(Nc3cccc(F)c3)n2)cc1
InChIInChI=1S/C23H28FN5O2/c1-16(5-4-12-30)15-25-22-27-21(13-17-8-10-20(31-2)11-9-17)28-23(29-22)26-19-7-3-6-18(24)14-19/h3,6-11,14,16,30H,4-5,12-13,15H2,1-2H3,(H2,25,26,27,28,29)
InChIKeyDAHZVHHVTJOHAO-UHFFFAOYSA-N
XLogP4.17
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[[4-(3-fluoroanilino)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol with MolForge

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Related Compounds

6-[3-(aminomethyl)-4-fluorophenyl]-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 53323152
2-[2-Methoxy-6-[[2-(4-methoxyphenyl)ethyl]amino]-4-pyrimidinyl]phenol
CID 135509970
6-(4-methoxyphenyl)-4-N-methyl-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 164613485
6-(4-methoxyphenyl)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 164628688
[1,5-Bis-(4-methoxy-benzyl)-1,4,5,6-tetrahydro-[1,3,5]triazin-2-yl]-(4,6-dimethyl-pyrimidin-2-yl)-amine
CID 2037119
4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 4578246
2-N-(4-fluorophenyl)-6-(4-methylphenoxy)-1,3,5-triazine-2,4-diamine
CID 145983821
6-[(4-benzylpiperidin-1-yl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1397715
4-(4-methoxyphenyl)-6-propyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 164612435
6-(4-methoxyphenyl)-4-N-propyl-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 164614135
4-chloro-6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 164614490
4-ethyl-6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 164616445

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-fluoroanilino)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol?
The IUPAC name of 5-[[4-(3-fluoroanilino)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol (CID 11316243) is 5-[[4-(3-fluoroanilino)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol.
What is the SMILES notation for 5-[[4-(3-fluoroanilino)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol?
The canonical SMILES for 5-[[4-(3-fluoroanilino)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol is COc1ccc(Cc2nc(NCC(C)CCCO)nc(Nc3cccc(F)c3)n2)cc1.
What is the InChIKey of 5-[[4-(3-fluoroanilino)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol?
The InChIKey is DAHZVHHVTJOHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O2/c1-16(5-4-12-30)15-25-22-27-21(13-17-8-10-20(31-2)11-9-17)28-23(29-22)26-19-7-3-6-18(24)14-19/h3,6-11,14,16,30H,4-5,12-13,15H2,1-2H3,(H2,25,26,27,28,29).
What are the key properties of 5-[[4-(3-fluoroanilino)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol?
5-[[4-(3-fluoroanilino)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol has a molecular weight of 425.51 g/mol, XLogP of 4.17, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-fluoroanilino)-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol is sourced from PubChem (CID 11316243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).