[3-[[4-[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-1,3,5-triazin-2-yl]amino]phenyl]methanol

C22H19FN6O — CID 23535804

IUPAC[3-[[4-[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-1,3,5-triazin-2-yl]amino]phenyl]methanol
SMILESOCc1cccc(Nc2ncnc(-c3cccnc3NCc3ccc(F)cc3)n2)c1
InChIInChI=1S/C22H19FN6O/c23-17-8-6-15(7-9-17)12-25-20-19(5-2-10-24-20)21-26-14-27-22(29-21)28-18-4-1-3-16(11-18)13-30/h1-11,14,30H,12-13H2,(H,24,25)(H,26,27,28,29)
InChIKeyZRLVRSQJJUKTNC-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.92
Rot. Bonds7

About [3-[[4-[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-1,3,5-triazin-2-yl]amino]phenyl]methanol

[3-[[4-[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-1,3,5-triazin-2-yl]amino]phenyl]methanol (PubChem CID 23535804) has the molecular formula C22H19FN6O and a molecular weight of 402.43 g/mol. Its IUPAC name is [3-[[4-[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-1,3,5-triazin-2-yl]amino]phenyl]methanol.

Molecular Properties

Compound Name[3-[[4-[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-1,3,5-triazin-2-yl]amino]phenyl]methanol
PubChem CID23535804
Molecular FormulaC22H19FN6O
Molecular Weight402.43 g/mol
Exact Mass402.16
IUPAC Name[3-[[4-[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-1,3,5-triazin-2-yl]amino]phenyl]methanol
SMILESOCc1cccc(Nc2ncnc(-c3cccnc3NCc3ccc(F)cc3)n2)c1
InChIInChI=1S/C22H19FN6O/c23-17-8-6-15(7-9-17)12-25-20-19(5-2-10-24-20)21-26-14-27-22(29-21)28-18-4-1-3-16(11-18)13-30/h1-11,14,30H,12-13H2,(H,24,25)(H,26,27,28,29)
InChIKeyZRLVRSQJJUKTNC-UHFFFAOYSA-N
XLogP3.92
TPSA95.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[[4-[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-1,3,5-triazin-2-yl]amino]phenyl]methanol?
The IUPAC name of [3-[[4-[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-1,3,5-triazin-2-yl]amino]phenyl]methanol (CID 23535804) is [3-[[4-[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-1,3,5-triazin-2-yl]amino]phenyl]methanol.
What is the SMILES notation for [3-[[4-[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-1,3,5-triazin-2-yl]amino]phenyl]methanol?
The canonical SMILES for [3-[[4-[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-1,3,5-triazin-2-yl]amino]phenyl]methanol is OCc1cccc(Nc2ncnc(-c3cccnc3NCc3ccc(F)cc3)n2)c1.
What is the InChIKey of [3-[[4-[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-1,3,5-triazin-2-yl]amino]phenyl]methanol?
The InChIKey is ZRLVRSQJJUKTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O/c23-17-8-6-15(7-9-17)12-25-20-19(5-2-10-24-20)21-26-14-27-22(29-21)28-18-4-1-3-16(11-18)13-30/h1-11,14,30H,12-13H2,(H,24,25)(H,26,27,28,29).
What are the key properties of [3-[[4-[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-1,3,5-triazin-2-yl]amino]phenyl]methanol?
[3-[[4-[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-1,3,5-triazin-2-yl]amino]phenyl]methanol has a molecular weight of 402.43 g/mol, XLogP of 3.92, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-1,3,5-triazin-2-yl]amino]phenyl]methanol is sourced from PubChem (CID 23535804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).