[1-[6-[3-(3-bromophenyl)propylamino]pyrimidin-4-yl]piperidin-3-yl]methanol

C19H25BrN4O — CID 133293839

IUPAC[1-[6-[3-(3-bromophenyl)propylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2cc(NCCCc3cccc(Br)c3)ncn2)C1
InChIInChI=1S/C19H25BrN4O/c20-17-7-1-4-15(10-17)5-2-8-21-18-11-19(23-14-22-18)24-9-3-6-16(12-24)13-25/h1,4,7,10-11,14,16,25H,2-3,5-6,8-9,12-13H2,(H,21,22,23)
InChIKeyFGVSWLOMQSVLKB-UHFFFAOYSA-N
MW405.34 g/mol
LogP3.49
Rot. Bonds7

About [1-[6-[3-(3-bromophenyl)propylamino]pyrimidin-4-yl]piperidin-3-yl]methanol

[1-[6-[3-(3-bromophenyl)propylamino]pyrimidin-4-yl]piperidin-3-yl]methanol (PubChem CID 133293839) has the molecular formula C19H25BrN4O and a molecular weight of 405.34 g/mol. Its IUPAC name is [1-[6-[3-(3-bromophenyl)propylamino]pyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-[3-(3-bromophenyl)propylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
PubChem CID133293839
Molecular FormulaC19H25BrN4O
Molecular Weight405.34 g/mol
Exact Mass404.12
IUPAC Name[1-[6-[3-(3-bromophenyl)propylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2cc(NCCCc3cccc(Br)c3)ncn2)C1
InChIInChI=1S/C19H25BrN4O/c20-17-7-1-4-15(10-17)5-2-8-21-18-11-19(23-14-22-18)24-9-3-6-16(12-24)13-25/h1,4,7,10-11,14,16,25H,2-3,5-6,8-9,12-13H2,(H,21,22,23)
InChIKeyFGVSWLOMQSVLKB-UHFFFAOYSA-N
XLogP3.49
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.34
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[6-[[1-(3-bromophenyl)pyrrolidin-3-yl]methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133298767
[1-[6-[(4-bromophenyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133292882
[1-[6-(3-methylsulfanylpropylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133304977
[1-[6-[2-(5-bromofuran-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133375019
[(3S)-1-[6-[2-(1-benzothiophen-3-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 171359084
[1-[6-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133297322
[1-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133305982
[1-[6-[[2-methyl-2-(3-methylphenyl)propyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133304152
N-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133304157
2-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 133324098
3-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1-phenylbutan-2-ol
CID 133400187
1-(3,5-dichlorophenyl)-2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 133308102

Frequently Asked Questions

What is the IUPAC name of [1-[6-[3-(3-bromophenyl)propylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[6-[3-(3-bromophenyl)propylamino]pyrimidin-4-yl]piperidin-3-yl]methanol (CID 133293839) is [1-[6-[3-(3-bromophenyl)propylamino]pyrimidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[6-[3-(3-bromophenyl)propylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[6-[3-(3-bromophenyl)propylamino]pyrimidin-4-yl]piperidin-3-yl]methanol is OCC1CCCN(c2cc(NCCCc3cccc(Br)c3)ncn2)C1.
What is the InChIKey of [1-[6-[3-(3-bromophenyl)propylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is FGVSWLOMQSVLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN4O/c20-17-7-1-4-15(10-17)5-2-8-21-18-11-19(23-14-22-18)24-9-3-6-16(12-24)13-25/h1,4,7,10-11,14,16,25H,2-3,5-6,8-9,12-13H2,(H,21,22,23).
What are the key properties of [1-[6-[3-(3-bromophenyl)propylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
[1-[6-[3-(3-bromophenyl)propylamino]pyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 405.34 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[3-(3-bromophenyl)propylamino]pyrimidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 133293839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).