6-[(5-bromopyrimidin-2-yl)amino]hexan-1-ol

C10H16BrN3O — CID 103918084

IUPAC6-[(5-bromopyrimidin-2-yl)amino]hexan-1-ol
SMILESOCCCCCCNc1ncc(Br)cn1
InChIInChI=1S/C10H16BrN3O/c11-9-7-13-10(14-8-9)12-5-3-1-2-4-6-15/h7-8,15H,1-6H2,(H,12,13,14)
InChIKeySBDGJZARYDPOGE-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.20
Rot. Bonds7

About 6-[(5-bromopyrimidin-2-yl)amino]hexan-1-ol

6-[(5-bromopyrimidin-2-yl)amino]hexan-1-ol (PubChem CID 103918084) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 6-[(5-bromopyrimidin-2-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(5-bromopyrimidin-2-yl)amino]hexan-1-ol
PubChem CID103918084
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name6-[(5-bromopyrimidin-2-yl)amino]hexan-1-ol
SMILESOCCCCCCNc1ncc(Br)cn1
InChIInChI=1S/C10H16BrN3O/c11-9-7-13-10(14-8-9)12-5-3-1-2-4-6-15/h7-8,15H,1-6H2,(H,12,13,14)
InChIKeySBDGJZARYDPOGE-UHFFFAOYSA-N
XLogP2.20
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-bromopyrimidin-2-yl)hexane-1,6-diamine
CID 107844829
5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine
CID 115486549
5-[(5-bromopyrimidin-2-yl)amino]pentan-2-ol
CID 107269196
5-[[4,6-bis(5-hydroxypentylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 12010696
7-[[4,6-bis(7-hydroxyheptylamino)-1,3,5-triazin-2-yl]amino]heptan-1-ol
CID 139959885
4-[(5-bromopyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 66106214
5-[(5-bromo-3-pyridinyl)amino]pentan-1-ol
CID 107302585
3-[[5-(2-bromophenyl)pyrimidin-2-yl]amino]propan-1-ol
CID 116975082
5-(4-bromoanilino)pentan-1-ol
CID 62227139
3-[(5-bromopyrimidin-2-yl)amino]propanamide
CID 63872635
(2S)-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol
CID 131107121
2-[3-[(5-bromopyrimidin-2-yl)amino]propyl]cyclohexan-1-ol
CID 133384881

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromopyrimidin-2-yl)amino]hexan-1-ol?
The IUPAC name of 6-[(5-bromopyrimidin-2-yl)amino]hexan-1-ol (CID 103918084) is 6-[(5-bromopyrimidin-2-yl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(5-bromopyrimidin-2-yl)amino]hexan-1-ol?
The canonical SMILES for 6-[(5-bromopyrimidin-2-yl)amino]hexan-1-ol is OCCCCCCNc1ncc(Br)cn1.
What is the InChIKey of 6-[(5-bromopyrimidin-2-yl)amino]hexan-1-ol?
The InChIKey is SBDGJZARYDPOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c11-9-7-13-10(14-8-9)12-5-3-1-2-4-6-15/h7-8,15H,1-6H2,(H,12,13,14).
What are the key properties of 6-[(5-bromopyrimidin-2-yl)amino]hexan-1-ol?
6-[(5-bromopyrimidin-2-yl)amino]hexan-1-ol has a molecular weight of 274.16 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromopyrimidin-2-yl)amino]hexan-1-ol is sourced from PubChem (CID 103918084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).