1-(5-chloro-6-methylpyrimidin-4-yl)oxy-2-methylpropan-2-ol

C9H13ClN2O2 — CID 144745085

IUPAC1-(5-chloro-6-methylpyrimidin-4-yl)oxy-2-methylpropan-2-ol
SMILESCc1ncnc(OCC(C)(C)O)c1Cl
InChIInChI=1S/C9H13ClN2O2/c1-6-7(10)8(12-5-11-6)14-4-9(2,3)13/h5,13H,4H2,1-3H3
InChIKeyYYARVQKGXJWJBS-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.59
Rot. Bonds3

About 1-(5-chloro-6-methylpyrimidin-4-yl)oxy-2-methylpropan-2-ol

1-(5-chloro-6-methylpyrimidin-4-yl)oxy-2-methylpropan-2-ol (PubChem CID 144745085) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 1-(5-chloro-6-methylpyrimidin-4-yl)oxy-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-6-methylpyrimidin-4-yl)oxy-2-methylpropan-2-ol
PubChem CID144745085
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name1-(5-chloro-6-methylpyrimidin-4-yl)oxy-2-methylpropan-2-ol
SMILESCc1ncnc(OCC(C)(C)O)c1Cl
InChIInChI=1S/C9H13ClN2O2/c1-6-7(10)8(12-5-11-6)14-4-9(2,3)13/h5,13H,4H2,1-3H3
InChIKeyYYARVQKGXJWJBS-UHFFFAOYSA-N
XLogP1.59
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-methylpyrimidin-4-yl)oxy-2-methylpropan-2-ol?
The IUPAC name of 1-(5-chloro-6-methylpyrimidin-4-yl)oxy-2-methylpropan-2-ol (CID 144745085) is 1-(5-chloro-6-methylpyrimidin-4-yl)oxy-2-methylpropan-2-ol.
What is the SMILES notation for 1-(5-chloro-6-methylpyrimidin-4-yl)oxy-2-methylpropan-2-ol?
The canonical SMILES for 1-(5-chloro-6-methylpyrimidin-4-yl)oxy-2-methylpropan-2-ol is Cc1ncnc(OCC(C)(C)O)c1Cl.
What is the InChIKey of 1-(5-chloro-6-methylpyrimidin-4-yl)oxy-2-methylpropan-2-ol?
The InChIKey is YYARVQKGXJWJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c1-6-7(10)8(12-5-11-6)14-4-9(2,3)13/h5,13H,4H2,1-3H3.
What are the key properties of 1-(5-chloro-6-methylpyrimidin-4-yl)oxy-2-methylpropan-2-ol?
1-(5-chloro-6-methylpyrimidin-4-yl)oxy-2-methylpropan-2-ol has a molecular weight of 216.67 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-6-methylpyrimidin-4-yl)oxy-2-methylpropan-2-ol is sourced from PubChem (CID 144745085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).