ethane;2-(2-methylpyrimidin-5-yl)butan-2-ol

C11H20N2O — CID 143869977

IUPACethane;2-(2-methylpyrimidin-5-yl)butan-2-ol
SMILESCC.CCC(C)(O)c1cnc(C)nc1
InChIInChI=1S/C9H14N2O.C2H6/c1-4-9(3,12)8-5-10-7(2)11-6-8;1-2/h5-6,12H,4H2,1-3H3;1-2H3
InChIKeyFEEIDKKMXQFJLT-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.43
Rot. Bonds2

About ethane;2-(2-methylpyrimidin-5-yl)butan-2-ol

ethane;2-(2-methylpyrimidin-5-yl)butan-2-ol (PubChem CID 143869977) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is ethane;2-(2-methylpyrimidin-5-yl)butan-2-ol.

Molecular Properties

Compound Nameethane;2-(2-methylpyrimidin-5-yl)butan-2-ol
PubChem CID143869977
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Nameethane;2-(2-methylpyrimidin-5-yl)butan-2-ol
SMILESCC.CCC(C)(O)c1cnc(C)nc1
InChIInChI=1S/C9H14N2O.C2H6/c1-4-9(3,12)8-5-10-7(2)11-6-8;1-2/h5-6,12H,4H2,1-3H3;1-2H3
InChIKeyFEEIDKKMXQFJLT-UHFFFAOYSA-N
XLogP2.43
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-methylpyrimidin-5-yl)butan-2-ol?
The IUPAC name of ethane;2-(2-methylpyrimidin-5-yl)butan-2-ol (CID 143869977) is ethane;2-(2-methylpyrimidin-5-yl)butan-2-ol.
What is the SMILES notation for ethane;2-(2-methylpyrimidin-5-yl)butan-2-ol?
The canonical SMILES for ethane;2-(2-methylpyrimidin-5-yl)butan-2-ol is CC.CCC(C)(O)c1cnc(C)nc1.
What is the InChIKey of ethane;2-(2-methylpyrimidin-5-yl)butan-2-ol?
The InChIKey is FEEIDKKMXQFJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.C2H6/c1-4-9(3,12)8-5-10-7(2)11-6-8;1-2/h5-6,12H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;2-(2-methylpyrimidin-5-yl)butan-2-ol?
ethane;2-(2-methylpyrimidin-5-yl)butan-2-ol has a molecular weight of 196.29 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-methylpyrimidin-5-yl)butan-2-ol is sourced from PubChem (CID 143869977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).