4-methoxy-1-(5-methylpyrimidin-2-yl)butan-1-ol

C10H16N2O2 — CID 114855009

IUPAC4-methoxy-1-(5-methylpyrimidin-2-yl)butan-1-ol
SMILESCOCCCC(O)c1ncc(C)cn1
InChIInChI=1S/C10H16N2O2/c1-8-6-11-10(12-7-8)9(13)4-3-5-14-2/h6-7,9,13H,3-5H2,1-2H3
InChIKeyCGRLVWFRPQOAJK-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.25
Rot. Bonds5

About 4-methoxy-1-(5-methylpyrimidin-2-yl)butan-1-ol

4-methoxy-1-(5-methylpyrimidin-2-yl)butan-1-ol (PubChem CID 114855009) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-methoxy-1-(5-methylpyrimidin-2-yl)butan-1-ol.

Molecular Properties

Compound Name4-methoxy-1-(5-methylpyrimidin-2-yl)butan-1-ol
PubChem CID114855009
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-methoxy-1-(5-methylpyrimidin-2-yl)butan-1-ol
SMILESCOCCCC(O)c1ncc(C)cn1
InChIInChI=1S/C10H16N2O2/c1-8-6-11-10(12-7-8)9(13)4-3-5-14-2/h6-7,9,13H,3-5H2,1-2H3
InChIKeyCGRLVWFRPQOAJK-UHFFFAOYSA-N
XLogP1.25
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(5-methylpyrimidin-2-yl)butan-1-ol?
The IUPAC name of 4-methoxy-1-(5-methylpyrimidin-2-yl)butan-1-ol (CID 114855009) is 4-methoxy-1-(5-methylpyrimidin-2-yl)butan-1-ol.
What is the SMILES notation for 4-methoxy-1-(5-methylpyrimidin-2-yl)butan-1-ol?
The canonical SMILES for 4-methoxy-1-(5-methylpyrimidin-2-yl)butan-1-ol is COCCCC(O)c1ncc(C)cn1.
What is the InChIKey of 4-methoxy-1-(5-methylpyrimidin-2-yl)butan-1-ol?
The InChIKey is CGRLVWFRPQOAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8-6-11-10(12-7-8)9(13)4-3-5-14-2/h6-7,9,13H,3-5H2,1-2H3.
What are the key properties of 4-methoxy-1-(5-methylpyrimidin-2-yl)butan-1-ol?
4-methoxy-1-(5-methylpyrimidin-2-yl)butan-1-ol has a molecular weight of 196.25 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(5-methylpyrimidin-2-yl)butan-1-ol is sourced from PubChem (CID 114855009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).