3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

C10H13BrClN3O — CID 106137194

IUPAC3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESOC1CCC(CNc2ncnc(Cl)c2Br)C1
InChIInChI=1S/C10H13BrClN3O/c11-8-9(12)14-5-15-10(8)13-4-6-1-2-7(16)3-6/h5-7,16H,1-4H2,(H,13,14,15)
InChIKeyBKBUKLCIKRYZLC-UHFFFAOYSA-N
MW306.59 g/mol
LogP2.47
Rot. Bonds3

About 3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 106137194) has the molecular formula C10H13BrClN3O and a molecular weight of 306.59 g/mol. Its IUPAC name is 3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
PubChem CID106137194
Molecular FormulaC10H13BrClN3O
Molecular Weight306.59 g/mol
Exact Mass304.99
IUPAC Name3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESOC1CCC(CNc2ncnc(Cl)c2Br)C1
InChIInChI=1S/C10H13BrClN3O/c11-8-9(12)14-5-15-10(8)13-4-6-1-2-7(16)3-6/h5-7,16H,1-4H2,(H,13,14,15)
InChIKeyBKBUKLCIKRYZLC-UHFFFAOYSA-N
XLogP2.47
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol 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 3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (CID 106137194) is 3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is OC1CCC(CNc2ncnc(Cl)c2Br)C1.
What is the InChIKey of 3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is BKBUKLCIKRYZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClN3O/c11-8-9(12)14-5-15-10(8)13-4-6-1-2-7(16)3-6/h5-7,16H,1-4H2,(H,13,14,15).
What are the key properties of 3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 306.59 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106137194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).