2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethanol

C8H11ClN2O2 — CID 46885006

IUPAC2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethanol
SMILESCOc1nc(Cl)nc(C)c1CCO
InChIInChI=1S/C8H11ClN2O2/c1-5-6(3-4-12)7(13-2)11-8(9)10-5/h12H,3-4H2,1-2H3
InChIKeyZGDFKJBLOBDGSM-UHFFFAOYSA-N
MW202.64 g/mol
LogP0.98
Rot. Bonds3

About 2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethanol

2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethanol (PubChem CID 46885006) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethanol
PubChem CID46885006
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethanol
SMILESCOc1nc(Cl)nc(C)c1CCO
InChIInChI=1S/C8H11ClN2O2/c1-5-6(3-4-12)7(13-2)11-8(9)10-5/h12H,3-4H2,1-2H3
InChIKeyZGDFKJBLOBDGSM-UHFFFAOYSA-N
XLogP0.98
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-Diethoxy-6-methylpyrimidin-5-yl)acetic acid
CID 3154204
2-(2,4-Dimethoxy-6-methylpyrimidin-5-yl)ethanol
CID 46885005
2-Methoxy-4-methyl-5,6-dihydrofuro[2,3-d]pyrimidine
CID 46885007
5-(2-Fluoroethyl)-2,4-dimethoxy-6-methylpyrimidine
CID 46885008
2-Chloro-5-(2-fluoroethyl)-4-methoxy-6-methylpyrimidine
CID 46885009
2-(2,4-Dimethoxy-6-methylpyrimidin-5-yl)ethyl acetate
CID 46885140
2-(2-Chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl acetate
CID 46885141
5-(2-Chloroethyl)-2,4-dimethoxy-6-methylpyrimidine
CID 46885143
2,4-Dimethoxy-5,6-dimethylpyrimidine
CID 11378723
5-(2,2-Difluoroethyl)-4-methoxy-6-methylpyrimidin-2-amine
CID 164908042
4-Methyl-5,6-dihydrofuro[2,3-d]pyrimidin-2-amine
CID 4098832
4-Methoxy-5-methyl-2,6-pyrimidinedimethanol
CID 10012609

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethanol?
The IUPAC name of 2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethanol (CID 46885006) is 2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethanol.
What is the SMILES notation for 2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethanol?
The canonical SMILES for 2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethanol is COc1nc(Cl)nc(C)c1CCO.
What is the InChIKey of 2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethanol?
The InChIKey is ZGDFKJBLOBDGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c1-5-6(3-4-12)7(13-2)11-8(9)10-5/h12H,3-4H2,1-2H3.
What are the key properties of 2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethanol?
2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethanol has a molecular weight of 202.64 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethanol is sourced from PubChem (CID 46885006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).