1-amino-2-(5-bromopyrimidin-2-yl)-2-methylcyclohexan-1-ol

C11H16BrN3O — CID 142668143

IUPAC1-amino-2-(5-bromopyrimidin-2-yl)-2-methylcyclohexan-1-ol
SMILESCC1(c2ncc(Br)cn2)CCCCC1(N)O
InChIInChI=1S/C11H16BrN3O/c1-10(4-2-3-5-11(10,13)16)9-14-6-8(12)7-15-9/h6-7,16H,2-5,13H2,1H3
InChIKeyWMWYKTAURBKOQK-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.72
Rot. Bonds1

About 1-amino-2-(5-bromopyrimidin-2-yl)-2-methylcyclohexan-1-ol

1-amino-2-(5-bromopyrimidin-2-yl)-2-methylcyclohexan-1-ol (PubChem CID 142668143) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 1-amino-2-(5-bromopyrimidin-2-yl)-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-amino-2-(5-bromopyrimidin-2-yl)-2-methylcyclohexan-1-ol
PubChem CID142668143
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name1-amino-2-(5-bromopyrimidin-2-yl)-2-methylcyclohexan-1-ol
SMILESCC1(c2ncc(Br)cn2)CCCCC1(N)O
InChIInChI=1S/C11H16BrN3O/c1-10(4-2-3-5-11(10,13)16)9-14-6-8(12)7-15-9/h6-7,16H,2-5,13H2,1H3
InChIKeyWMWYKTAURBKOQK-UHFFFAOYSA-N
XLogP1.72
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[1-(5-bromopyrimidin-2-yl)cyclopentyl]methanamine
CID 130544639
5-(5-bromopyrimidin-2-yl)spiro[2.3]hexan-5-ol;ethane
CID 178039114
1-(5-bromopyrimidin-2-yl)cyclohexan-1-ol;ethyl formate
CID 174824588
3-(5-bromopyrimidin-2-yl)oxetan-3-amine;hydrochloride
CID 155970384
1-(5-bromopyrimidin-2-yl)cyclobutane-1,3-diol
CID 118138246
4-(5-bromopyrimidin-2-yl)-1-cyclopropylpiperidin-4-amine
CID 165458571
5-bromo-4-fluoro-2-(1-methylcyclopentyl)pyrimidine
CID 164659971
1-(5-bromo-3-chloro-2-pyridinyl)cyclopentan-1-amine
CID 130545363
1-[(5-bromo-2-pyridinyl)methyl]cyclohexan-1-amine
CID 104802724
4-(5-bromopyrimidin-2-yl)oxan-4-ol;oxan-4-one
CID 159685962
5-bromo-2-(4-fluorooxan-4-yl)pyrimidine
CID 118141781
2-amino-5-bromo-N-(1-methylcyclohexyl)pyridine-3-carboxamide
CID 55042048

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(5-bromopyrimidin-2-yl)-2-methylcyclohexan-1-ol?
The IUPAC name of 1-amino-2-(5-bromopyrimidin-2-yl)-2-methylcyclohexan-1-ol (CID 142668143) is 1-amino-2-(5-bromopyrimidin-2-yl)-2-methylcyclohexan-1-ol.
What is the SMILES notation for 1-amino-2-(5-bromopyrimidin-2-yl)-2-methylcyclohexan-1-ol?
The canonical SMILES for 1-amino-2-(5-bromopyrimidin-2-yl)-2-methylcyclohexan-1-ol is CC1(c2ncc(Br)cn2)CCCCC1(N)O.
What is the InChIKey of 1-amino-2-(5-bromopyrimidin-2-yl)-2-methylcyclohexan-1-ol?
The InChIKey is WMWYKTAURBKOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-10(4-2-3-5-11(10,13)16)9-14-6-8(12)7-15-9/h6-7,16H,2-5,13H2,1H3.
What are the key properties of 1-amino-2-(5-bromopyrimidin-2-yl)-2-methylcyclohexan-1-ol?
1-amino-2-(5-bromopyrimidin-2-yl)-2-methylcyclohexan-1-ol has a molecular weight of 286.17 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(5-bromopyrimidin-2-yl)-2-methylcyclohexan-1-ol is sourced from PubChem (CID 142668143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).