4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol

C30H39FN4O — CID 58199630

IUPAC4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol
SMILESCCCN1CCC(N(CC)Cc2cccc(-c3ccnc(CCCc4ccc(O)c(F)c4)n3)c2)CC1
InChIInChI=1S/C30H39FN4O/c1-3-17-34-18-14-26(15-19-34)35(4-2)22-24-8-5-9-25(20-24)28-13-16-32-30(33-28)10-6-7-23-11-12-29(36)27(31)21-23/h5,8-9,11-13,16,20-21,26,36H,3-4,6-7,10,14-15,17-19,22H2,1-2H3
InChIKeyULGRJBDPFSMMDZ-UHFFFAOYSA-N
MW490.67 g/mol
LogP5.86
Rot. Bonds11

About 4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol

4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol (PubChem CID 58199630) has the molecular formula C30H39FN4O and a molecular weight of 490.67 g/mol. Its IUPAC name is 4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol
PubChem CID58199630
Molecular FormulaC30H39FN4O
Molecular Weight490.67 g/mol
Exact Mass490.31
IUPAC Name4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol
SMILESCCCN1CCC(N(CC)Cc2cccc(-c3ccnc(CCCc4ccc(O)c(F)c4)n3)c2)CC1
InChIInChI=1S/C30H39FN4O/c1-3-17-34-18-14-26(15-19-34)35(4-2)22-24-8-5-9-25(20-24)28-13-16-32-30(33-28)10-6-7-23-11-12-29(36)27(31)21-23/h5,8-9,11-13,16,20-21,26,36H,3-4,6-7,10,14-15,17-19,22H2,1-2H3
InChIKeyULGRJBDPFSMMDZ-UHFFFAOYSA-N
XLogP5.86
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.67
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol 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
4-[(4-Pyrimidin-2-ylpiperazin-1-yl)methyl]phenol
CID 764635
4-[4-(4-Fluorophenyl)-2-pyrimidinyl]benzenol
CID 1479911
4-[4-Phenyl-6-(propyl-pyridin-2-ylmethyl-amino)-pyridin-2-yl]-phenol
CID 135529495
2-({[(2M)-[2,3'-bipyridin]-2'-yl]amino}methyl)-5-fluorophenol
CID 169452184
2-(4-Methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl)phenol
CID 947317
4-Methyl-2-(2-phenyl-6-(1,1,2,2-tetrafluoroethyl)pyrimidin-4-yl)phenol
CID 1069571
4-[4-(4-Methylphenyl)-2-pyrimidinyl]benzenol
CID 1479917
4-[4-(4-Methoxyphenyl)-2-pyrimidinyl]benzenol
CID 1479927
4-(1-quinazolin-4-yl-3,6-dihydro-2H-pyridin-4-yl)phenol
CID 25613097
2-[[[3-[2-[Cyclohexyl(methyl)amino]pyrimidin-5-yl]phenyl]methylamino]methyl]phenol
CID 44525315

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol?
The IUPAC name of 4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol (CID 58199630) is 4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol.
What is the SMILES notation for 4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol?
The canonical SMILES for 4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol is CCCN1CCC(N(CC)Cc2cccc(-c3ccnc(CCCc4ccc(O)c(F)c4)n3)c2)CC1.
What is the InChIKey of 4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol?
The InChIKey is ULGRJBDPFSMMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39FN4O/c1-3-17-34-18-14-26(15-19-34)35(4-2)22-24-8-5-9-25(20-24)28-13-16-32-30(33-28)10-6-7-23-11-12-29(36)27(31)21-23/h5,8-9,11-13,16,20-21,26,36H,3-4,6-7,10,14-15,17-19,22H2,1-2H3.
What are the key properties of 4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol?
4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol has a molecular weight of 490.67 g/mol, XLogP of 5.86, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[3-[[ethyl-(1-propylpiperidin-4-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]-2-fluorophenol is sourced from PubChem (CID 58199630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).