3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol

C10H15BrClN3O — CID 106192330

IUPAC3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)Nc1nc(Cl)ncc1Br
InChIInChI=1S/C10H15BrClN3O/c1-9(2,10(3,4)16)15-7-6(11)5-13-8(12)14-7/h5,16H,1-4H3,(H,13,14,15)
InChIKeyUJOFREZPPAOONN-UHFFFAOYSA-N
MW308.61 g/mol
LogP2.85
Rot. Bonds3

About 3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol

3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol (PubChem CID 106192330) has the molecular formula C10H15BrClN3O and a molecular weight of 308.61 g/mol. Its IUPAC name is 3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
PubChem CID106192330
Molecular FormulaC10H15BrClN3O
Molecular Weight308.61 g/mol
Exact Mass307.01
IUPAC Name3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)Nc1nc(Cl)ncc1Br
InChIInChI=1S/C10H15BrClN3O/c1-9(2,10(3,4)16)15-7-6(11)5-13-8(12)14-7/h5,16H,1-4H3,(H,13,14,15)
InChIKeyUJOFREZPPAOONN-UHFFFAOYSA-N
XLogP2.85
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.61
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol (CID 106192330) is 3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol is CC(C)(O)C(C)(C)Nc1nc(Cl)ncc1Br.
What is the InChIKey of 3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol?
The InChIKey is UJOFREZPPAOONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrClN3O/c1-9(2,10(3,4)16)15-7-6(11)5-13-8(12)14-7/h5,16H,1-4H3,(H,13,14,15).
What are the key properties of 3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol?
3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol has a molecular weight of 308.61 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106192330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).