2-fluoro-4-[3-[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol

C28H35FN4O — CID 58199623

IUPAC2-fluoro-4-[3-[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
SMILESCCCN(Cc1cccc(-c2ccnc(CCCc3ccc(O)c(F)c3)n2)c1)C1CCNCC1
InChIInChI=1S/C28H35FN4O/c1-2-17-33(24-11-14-30-15-12-24)20-22-6-3-7-23(18-22)26-13-16-31-28(32-26)8-4-5-21-9-10-27(34)25(29)19-21/h3,6-7,9-10,13,16,18-19,24,30,34H,2,4-5,8,11-12,14-15,17,20H2,1H3
InChIKeyZBQOCIPFJNYMAA-UHFFFAOYSA-N
MW462.61 g/mol
LogP5.13
Rot. Bonds10

About 2-fluoro-4-[3-[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol

2-fluoro-4-[3-[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol (PubChem CID 58199623) has the molecular formula C28H35FN4O and a molecular weight of 462.61 g/mol. Its IUPAC name is 2-fluoro-4-[3-[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[3-[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
PubChem CID58199623
Molecular FormulaC28H35FN4O
Molecular Weight462.61 g/mol
Exact Mass462.28
IUPAC Name2-fluoro-4-[3-[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
SMILESCCCN(Cc1cccc(-c2ccnc(CCCc3ccc(O)c(F)c3)n2)c1)C1CCNCC1
InChIInChI=1S/C28H35FN4O/c1-2-17-33(24-11-14-30-15-12-24)20-22-6-3-7-23(18-22)26-13-16-31-28(32-26)8-4-5-21-9-10-27(34)25(29)19-21/h3,6-7,9-10,13,16,18-19,24,30,34H,2,4-5,8,11-12,14-15,17,20H2,1H3
InChIKeyZBQOCIPFJNYMAA-UHFFFAOYSA-N
XLogP5.13
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.61
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-4-[3-[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol with MolForge

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Related Compounds

5-Fluoro-2-({[3-(Pyrimidin-2-Yl)pyridin-2-Yl]amino}methyl)phenol
CID 72376515
5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452183
2,4-Bisanilinopyrimidine, 32
CID 44224087
2,4-Bisanilinopyrimidine, 33
CID 44224088
2,4-Bisanilinopyrimidine, 34
CID 44224089
4-[2-amino-8-[[(3S)-1-methylpiperidin-3-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol
CID 166633169
4-[4-(4-Fluorophenyl)-2-pyrimidinyl]benzenol
CID 1479911
2-(2,4-Dimethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 9889622
4-(5-Hydroxy-2-methylanilino)-2-(4-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 9924317
2-[2-(4-fluoroanilino)-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-6-ol;hydrochloride
CID 18315831
4-(5-Hydroxy-2-methylanilino)-2-(3-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 22732348
3-[[3-(6-Amino-2-methyl-4-pyrimidinyl)-2-pyridinyl]amino]phenol
CID 49785253

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[3-[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
The IUPAC name of 2-fluoro-4-[3-[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol (CID 58199623) is 2-fluoro-4-[3-[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol.
What is the SMILES notation for 2-fluoro-4-[3-[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
The canonical SMILES for 2-fluoro-4-[3-[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol is CCCN(Cc1cccc(-c2ccnc(CCCc3ccc(O)c(F)c3)n2)c1)C1CCNCC1.
What is the InChIKey of 2-fluoro-4-[3-[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
The InChIKey is ZBQOCIPFJNYMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN4O/c1-2-17-33(24-11-14-30-15-12-24)20-22-6-3-7-23(18-22)26-13-16-31-28(32-26)8-4-5-21-9-10-27(34)25(29)19-21/h3,6-7,9-10,13,16,18-19,24,30,34H,2,4-5,8,11-12,14-15,17,20H2,1H3.
What are the key properties of 2-fluoro-4-[3-[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
2-fluoro-4-[3-[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol has a molecular weight of 462.61 g/mol, XLogP of 5.13, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[3-[4-[3-[[piperidin-4-yl(propyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol is sourced from PubChem (CID 58199623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).