3-(6-ethoxy-2-methylpyrimidin-4-yl)butan-2-ol

C11H18N2O2 — CID 66331506

IUPAC3-(6-ethoxy-2-methylpyrimidin-4-yl)butan-2-ol
SMILESCCOc1cc(C(C)C(C)O)nc(C)n1
InChIInChI=1S/C11H18N2O2/c1-5-15-11-6-10(7(2)8(3)14)12-9(4)13-11/h6-8,14H,5H2,1-4H3
InChIKeyNCQXXNBPHAPDNX-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.67
Rot. Bonds4

About 3-(6-ethoxy-2-methylpyrimidin-4-yl)butan-2-ol

3-(6-ethoxy-2-methylpyrimidin-4-yl)butan-2-ol (PubChem CID 66331506) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(6-ethoxy-2-methylpyrimidin-4-yl)butan-2-ol.

Molecular Properties

Compound Name3-(6-ethoxy-2-methylpyrimidin-4-yl)butan-2-ol
PubChem CID66331506
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-(6-ethoxy-2-methylpyrimidin-4-yl)butan-2-ol
SMILESCCOc1cc(C(C)C(C)O)nc(C)n1
InChIInChI=1S/C11H18N2O2/c1-5-15-11-6-10(7(2)8(3)14)12-9(4)13-11/h6-8,14H,5H2,1-4H3
InChIKeyNCQXXNBPHAPDNX-UHFFFAOYSA-N
XLogP1.67
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-ethoxy-2-methylpyrimidin-4-yl)butan-2-ol?
The IUPAC name of 3-(6-ethoxy-2-methylpyrimidin-4-yl)butan-2-ol (CID 66331506) is 3-(6-ethoxy-2-methylpyrimidin-4-yl)butan-2-ol.
What is the SMILES notation for 3-(6-ethoxy-2-methylpyrimidin-4-yl)butan-2-ol?
The canonical SMILES for 3-(6-ethoxy-2-methylpyrimidin-4-yl)butan-2-ol is CCOc1cc(C(C)C(C)O)nc(C)n1.
What is the InChIKey of 3-(6-ethoxy-2-methylpyrimidin-4-yl)butan-2-ol?
The InChIKey is NCQXXNBPHAPDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-15-11-6-10(7(2)8(3)14)12-9(4)13-11/h6-8,14H,5H2,1-4H3.
What are the key properties of 3-(6-ethoxy-2-methylpyrimidin-4-yl)butan-2-ol?
3-(6-ethoxy-2-methylpyrimidin-4-yl)butan-2-ol has a molecular weight of 210.28 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethoxy-2-methylpyrimidin-4-yl)butan-2-ol is sourced from PubChem (CID 66331506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).