2-[4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]ethanol

C8H12ClN3O — CID 58336208

IUPAC2-[4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]ethanol
SMILESCNc1nc(C)nc(Cl)c1CCO
InChIInChI=1S/C8H12ClN3O/c1-5-11-7(9)6(3-4-13)8(10-2)12-5/h13H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyWNCFKWXTNNVYOA-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.01
Rot. Bonds3

About 2-[4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]ethanol

2-[4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]ethanol (PubChem CID 58336208) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 2-[4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name2-[4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]ethanol
PubChem CID58336208
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name2-[4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]ethanol
SMILESCNc1nc(C)nc(Cl)c1CCO
InChIInChI=1S/C8H12ClN3O/c1-5-11-7(9)6(3-4-13)8(10-2)12-5/h13H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyWNCFKWXTNNVYOA-UHFFFAOYSA-N
XLogP1.01
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]ethanol?
The IUPAC name of 2-[4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]ethanol (CID 58336208) is 2-[4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]ethanol.
What is the SMILES notation for 2-[4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]ethanol?
The canonical SMILES for 2-[4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]ethanol is CNc1nc(C)nc(Cl)c1CCO.
What is the InChIKey of 2-[4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]ethanol?
The InChIKey is WNCFKWXTNNVYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-5-11-7(9)6(3-4-13)8(10-2)12-5/h13H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of 2-[4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]ethanol?
2-[4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]ethanol has a molecular weight of 201.66 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]ethanol is sourced from PubChem (CID 58336208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).