2-[butyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol

C13H22ClN3O — CID 55229495

IUPAC2-[butyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol
SMILESCCCCN(CCO)c1ncnc(Cl)c1C(C)C
InChIInChI=1S/C13H22ClN3O/c1-4-5-6-17(7-8-18)13-11(10(2)3)12(14)15-9-16-13/h9-10,18H,4-8H2,1-3H3
InChIKeyKRWMSTQNRKREIP-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.85
Rot. Bonds7

About 2-[butyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol

2-[butyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol (PubChem CID 55229495) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-[butyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[butyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol
PubChem CID55229495
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name2-[butyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol
SMILESCCCCN(CCO)c1ncnc(Cl)c1C(C)C
InChIInChI=1S/C13H22ClN3O/c1-4-5-6-17(7-8-18)13-11(10(2)3)12(14)15-9-16-13/h9-10,18H,4-8H2,1-3H3
InChIKeyKRWMSTQNRKREIP-UHFFFAOYSA-N
XLogP2.85
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[butyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol (CID 55229495) is 2-[butyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[butyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[butyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol is CCCCN(CCO)c1ncnc(Cl)c1C(C)C.
What is the InChIKey of 2-[butyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol?
The InChIKey is KRWMSTQNRKREIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-4-5-6-17(7-8-18)13-11(10(2)3)12(14)15-9-16-13/h9-10,18H,4-8H2,1-3H3.
What are the key properties of 2-[butyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol?
2-[butyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol has a molecular weight of 271.79 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 55229495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).