(1R)-1-(5-bromopyrimidin-2-yl)-1-cyclopropylethanol

C9H11BrN2O — CID 176651093

IUPAC(1R)-1-(5-bromopyrimidin-2-yl)-1-cyclopropylethanol
SMILESC[C@](O)(c1ncc(Br)cn1)C1CC1
InChIInChI=1S/C9H11BrN2O/c1-9(13,6-2-3-6)8-11-4-7(10)5-12-8/h4-6,13H,2-3H2,1H3/t9-/m1/s1
InChIKeyNXUYLJRMRQPBDR-SECBINFHSA-N
MW243.10 g/mol
LogP1.86
Rot. Bonds2

About (1R)-1-(5-bromopyrimidin-2-yl)-1-cyclopropylethanol

(1R)-1-(5-bromopyrimidin-2-yl)-1-cyclopropylethanol (PubChem CID 176651093) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is (1R)-1-(5-bromopyrimidin-2-yl)-1-cyclopropylethanol.

Molecular Properties

Compound Name(1R)-1-(5-bromopyrimidin-2-yl)-1-cyclopropylethanol
PubChem CID176651093
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name(1R)-1-(5-bromopyrimidin-2-yl)-1-cyclopropylethanol
SMILESC[C@](O)(c1ncc(Br)cn1)C1CC1
InChIInChI=1S/C9H11BrN2O/c1-9(13,6-2-3-6)8-11-4-7(10)5-12-8/h4-6,13H,2-3H2,1H3/t9-/m1/s1
InChIKeyNXUYLJRMRQPBDR-SECBINFHSA-N
XLogP1.86
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-(5-bromopyrimidin-2-yl)-1-cyclopropylethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromopyrimidin-2-yl)-1-cyclopropylethanol?
The IUPAC name of (1R)-1-(5-bromopyrimidin-2-yl)-1-cyclopropylethanol (CID 176651093) is (1R)-1-(5-bromopyrimidin-2-yl)-1-cyclopropylethanol.
What is the SMILES notation for (1R)-1-(5-bromopyrimidin-2-yl)-1-cyclopropylethanol?
The canonical SMILES for (1R)-1-(5-bromopyrimidin-2-yl)-1-cyclopropylethanol is C[C@](O)(c1ncc(Br)cn1)C1CC1.
What is the InChIKey of (1R)-1-(5-bromopyrimidin-2-yl)-1-cyclopropylethanol?
The InChIKey is NXUYLJRMRQPBDR-SECBINFHSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-9(13,6-2-3-6)8-11-4-7(10)5-12-8/h4-6,13H,2-3H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-(5-bromopyrimidin-2-yl)-1-cyclopropylethanol?
(1R)-1-(5-bromopyrimidin-2-yl)-1-cyclopropylethanol has a molecular weight of 243.10 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-bromopyrimidin-2-yl)-1-cyclopropylethanol is sourced from PubChem (CID 176651093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).