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

C9H11BrN2O — CID 63873450

IUPAC2-(5-bromopyrimidin-2-yl)-1-cyclopropylethanol
SMILESOC(Cc1ncc(Br)cn1)C1CC1
InChIInChI=1S/C9H11BrN2O/c10-7-4-11-9(12-5-7)3-8(13)6-1-2-6/h4-6,8,13H,1-3H2
InChIKeyYXVAWMMEYCCCQP-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.55
Rot. Bonds3

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

2-(5-bromopyrimidin-2-yl)-1-cyclopropylethanol (PubChem CID 63873450) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 2-(5-bromopyrimidin-2-yl)-1-cyclopropylethanol.

Molecular Properties

Compound Name2-(5-bromopyrimidin-2-yl)-1-cyclopropylethanol
PubChem CID63873450
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name2-(5-bromopyrimidin-2-yl)-1-cyclopropylethanol
SMILESOC(Cc1ncc(Br)cn1)C1CC1
InChIInChI=1S/C9H11BrN2O/c10-7-4-11-9(12-5-7)3-8(13)6-1-2-6/h4-6,8,13H,1-3H2
InChIKeyYXVAWMMEYCCCQP-UHFFFAOYSA-N
XLogP1.55
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromopyrimidin-2-yl)-1-cyclopropylethanol?
The IUPAC name of 2-(5-bromopyrimidin-2-yl)-1-cyclopropylethanol (CID 63873450) is 2-(5-bromopyrimidin-2-yl)-1-cyclopropylethanol.
What is the SMILES notation for 2-(5-bromopyrimidin-2-yl)-1-cyclopropylethanol?
The canonical SMILES for 2-(5-bromopyrimidin-2-yl)-1-cyclopropylethanol is OC(Cc1ncc(Br)cn1)C1CC1.
What is the InChIKey of 2-(5-bromopyrimidin-2-yl)-1-cyclopropylethanol?
The InChIKey is YXVAWMMEYCCCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c10-7-4-11-9(12-5-7)3-8(13)6-1-2-6/h4-6,8,13H,1-3H2.
What are the key properties of 2-(5-bromopyrimidin-2-yl)-1-cyclopropylethanol?
2-(5-bromopyrimidin-2-yl)-1-cyclopropylethanol has a molecular weight of 243.10 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromopyrimidin-2-yl)-1-cyclopropylethanol is sourced from PubChem (CID 63873450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).