4-[(5-bromopyrimidin-2-yl)-methylamino]cyclohexan-1-ol

C11H16BrN3O — CID 22236265

IUPAC4-[(5-bromopyrimidin-2-yl)-methylamino]cyclohexan-1-ol
SMILESCN(c1ncc(Br)cn1)C1CCC(O)CC1
InChIInChI=1S/C11H16BrN3O/c1-15(9-2-4-10(16)5-3-9)11-13-6-8(12)7-14-11/h6-7,9-10,16H,2-5H2,1H3
InChIKeyBKURESYXAKDFFR-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.98
Rot. Bonds2

About 4-[(5-bromopyrimidin-2-yl)-methylamino]cyclohexan-1-ol

4-[(5-bromopyrimidin-2-yl)-methylamino]cyclohexan-1-ol (PubChem CID 22236265) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 4-[(5-bromopyrimidin-2-yl)-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5-bromopyrimidin-2-yl)-methylamino]cyclohexan-1-ol
PubChem CID22236265
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name4-[(5-bromopyrimidin-2-yl)-methylamino]cyclohexan-1-ol
SMILESCN(c1ncc(Br)cn1)C1CCC(O)CC1
InChIInChI=1S/C11H16BrN3O/c1-15(9-2-4-10(16)5-3-9)11-13-6-8(12)7-14-11/h6-7,9-10,16H,2-5H2,1H3
InChIKeyBKURESYXAKDFFR-UHFFFAOYSA-N
XLogP1.98
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromopyrimidin-2-yl)-methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[(5-bromopyrimidin-2-yl)-methylamino]cyclohexan-1-ol (CID 22236265) is 4-[(5-bromopyrimidin-2-yl)-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5-bromopyrimidin-2-yl)-methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[(5-bromopyrimidin-2-yl)-methylamino]cyclohexan-1-ol is CN(c1ncc(Br)cn1)C1CCC(O)CC1.
What is the InChIKey of 4-[(5-bromopyrimidin-2-yl)-methylamino]cyclohexan-1-ol?
The InChIKey is BKURESYXAKDFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-15(9-2-4-10(16)5-3-9)11-13-6-8(12)7-14-11/h6-7,9-10,16H,2-5H2,1H3.
What are the key properties of 4-[(5-bromopyrimidin-2-yl)-methylamino]cyclohexan-1-ol?
4-[(5-bromopyrimidin-2-yl)-methylamino]cyclohexan-1-ol has a molecular weight of 286.17 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromopyrimidin-2-yl)-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 22236265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).