[1-[6-[2-(5-bromofuran-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol

C16H21BrN4O2 — CID 133375019

IUPAC[1-[6-[2-(5-bromofuran-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2cc(NCCc3ccc(Br)o3)ncn2)C1
InChIInChI=1S/C16H21BrN4O2/c17-14-4-3-13(23-14)5-6-18-15-8-16(20-11-19-15)21-7-1-2-12(9-21)10-22/h3-4,8,11-12,22H,1-2,5-7,9-10H2,(H,18,19,20)
InChIKeyRHAAWBUKBQLXKV-UHFFFAOYSA-N
MW381.27 g/mol
LogP2.70
Rot. Bonds6

About [1-[6-[2-(5-bromofuran-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol

[1-[6-[2-(5-bromofuran-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol (PubChem CID 133375019) has the molecular formula C16H21BrN4O2 and a molecular weight of 381.27 g/mol. Its IUPAC name is [1-[6-[2-(5-bromofuran-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-[2-(5-bromofuran-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
PubChem CID133375019
Molecular FormulaC16H21BrN4O2
Molecular Weight381.27 g/mol
Exact Mass380.08
IUPAC Name[1-[6-[2-(5-bromofuran-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2cc(NCCc3ccc(Br)o3)ncn2)C1
InChIInChI=1S/C16H21BrN4O2/c17-14-4-3-13(23-14)5-6-18-15-8-16(20-11-19-15)21-7-1-2-12(9-21)10-22/h3-4,8,11-12,22H,1-2,5-7,9-10H2,(H,18,19,20)
InChIKeyRHAAWBUKBQLXKV-UHFFFAOYSA-N
XLogP2.70
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[6-[2-(5-bromofuran-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[6-[3-(3-bromophenyl)propylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133293839
[1-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133305982
[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
[(3S)-1-[6-[2-(1-benzothiophen-3-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 171359084
2-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 133324098
[1-[6-[[1-(3-bromophenyl)pyrrolidin-3-yl]methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133298767
[1-[6-[2-(4-methylpyrazol-1-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133281793
[1-[6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133378629
[1-[6-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133297322
1-(3,5-dichlorophenyl)-2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 133308102
[1-[6-[[1-(4-fluorophenyl)cyclobutyl]methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133300453

Frequently Asked Questions

What is the IUPAC name of [1-[6-[2-(5-bromofuran-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[6-[2-(5-bromofuran-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol (CID 133375019) is [1-[6-[2-(5-bromofuran-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[6-[2-(5-bromofuran-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[6-[2-(5-bromofuran-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol is OCC1CCCN(c2cc(NCCc3ccc(Br)o3)ncn2)C1.
What is the InChIKey of [1-[6-[2-(5-bromofuran-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is RHAAWBUKBQLXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4O2/c17-14-4-3-13(23-14)5-6-18-15-8-16(20-11-19-15)21-7-1-2-12(9-21)10-22/h3-4,8,11-12,22H,1-2,5-7,9-10H2,(H,18,19,20).
What are the key properties of [1-[6-[2-(5-bromofuran-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
[1-[6-[2-(5-bromofuran-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 381.27 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[2-(5-bromofuran-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 133375019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).