4-[3-[4-[3-(piperidin-3-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol

C24H28N4O — CID 58199828

IUPAC4-[3-[4-[3-(piperidin-3-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol
SMILESOc1ccc(CCCc2nccc(-c3cccc(NC4CCCNC4)c3)n2)cc1
InChIInChI=1S/C24H28N4O/c29-22-11-9-18(10-12-22)4-1-8-24-26-15-13-23(28-24)19-5-2-6-20(16-19)27-21-7-3-14-25-17-21/h2,5-6,9-13,15-16,21,25,27,29H,1,3-4,7-8,14,17H2
InChIKeyVGKYURUNMSEYMQ-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.19
Rot. Bonds7

About 4-[3-[4-[3-(piperidin-3-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol

4-[3-[4-[3-(piperidin-3-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol (PubChem CID 58199828) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 4-[3-[4-[3-(piperidin-3-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol.

Molecular Properties

Compound Name4-[3-[4-[3-(piperidin-3-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol
PubChem CID58199828
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name4-[3-[4-[3-(piperidin-3-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol
SMILESOc1ccc(CCCc2nccc(-c3cccc(NC4CCCNC4)c3)n2)cc1
InChIInChI=1S/C24H28N4O/c29-22-11-9-18(10-12-22)4-1-8-24-26-15-13-23(28-24)19-5-2-6-20(16-19)27-21-7-3-14-25-17-21/h2,5-6,9-13,15-16,21,25,27,29H,1,3-4,7-8,14,17H2
InChIKeyVGKYURUNMSEYMQ-UHFFFAOYSA-N
XLogP4.19
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dichloro-4-[3-[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol
CID 58199893
N-[3-[2-[3-(1,3-benzodioxol-5-yl)propyl]pyrimidin-4-yl]phenyl]piperidin-4-amine
CID 58199790
4-[3-[4-[3-(4-cyclopentylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol
CID 58199964
CID 58199588
CID 58199588
4-[3-[4-[3-[[cyclopentylmethyl(ethyl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;3-[3-[4-[3-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
CID 160902421
N-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 58199931
4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
CID 58199743
tert-butyl 4-[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]anilino]piperidine-1-carboxylate
CID 58199849
2-[3-(4-bromophenyl)propyl]-4-[3-[2-[(3R,4R)-3-methylpiperidin-4-yl]ethyl]phenyl]pyrimidine
CID 58199725
N-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-3-ylmethanesulfonamide
CID 58603430
N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-[[(3S)-piperidin-3-yl]methyl]ethanamine
CID 58199734
4-[3-[4-[2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
CID 58199811

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[3-(piperidin-3-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol?
The IUPAC name of 4-[3-[4-[3-(piperidin-3-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol (CID 58199828) is 4-[3-[4-[3-(piperidin-3-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol.
What is the SMILES notation for 4-[3-[4-[3-(piperidin-3-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol?
The canonical SMILES for 4-[3-[4-[3-(piperidin-3-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol is Oc1ccc(CCCc2nccc(-c3cccc(NC4CCCNC4)c3)n2)cc1.
What is the InChIKey of 4-[3-[4-[3-(piperidin-3-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol?
The InChIKey is VGKYURUNMSEYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c29-22-11-9-18(10-12-22)4-1-8-24-26-15-13-23(28-24)19-5-2-6-20(16-19)27-21-7-3-14-25-17-21/h2,5-6,9-13,15-16,21,25,27,29H,1,3-4,7-8,14,17H2.
What are the key properties of 4-[3-[4-[3-(piperidin-3-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol?
4-[3-[4-[3-(piperidin-3-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol has a molecular weight of 388.52 g/mol, XLogP of 4.19, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[3-(piperidin-3-ylamino)phenyl]pyrimidin-2-yl]propyl]phenol is sourced from PubChem (CID 58199828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).