2-methoxy-1-pyrimidin-5-ylpentan-1-ol

C10H16N2O2 — CID 116711705

IUPAC2-methoxy-1-pyrimidin-5-ylpentan-1-ol
SMILESCCCC(OC)C(O)c1cncnc1
InChIInChI=1S/C10H16N2O2/c1-3-4-9(14-2)10(13)8-5-11-7-12-6-8/h5-7,9-10,13H,3-4H2,1-2H3
InChIKeyQBCSQKCBZDYNHI-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.33
Rot. Bonds5

About 2-methoxy-1-pyrimidin-5-ylpentan-1-ol

2-methoxy-1-pyrimidin-5-ylpentan-1-ol (PubChem CID 116711705) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-methoxy-1-pyrimidin-5-ylpentan-1-ol.

Molecular Properties

Compound Name2-methoxy-1-pyrimidin-5-ylpentan-1-ol
PubChem CID116711705
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-methoxy-1-pyrimidin-5-ylpentan-1-ol
SMILESCCCC(OC)C(O)c1cncnc1
InChIInChI=1S/C10H16N2O2/c1-3-4-9(14-2)10(13)8-5-11-7-12-6-8/h5-7,9-10,13H,3-4H2,1-2H3
InChIKeyQBCSQKCBZDYNHI-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-pyrimidin-5-ylpentan-1-ol?
The IUPAC name of 2-methoxy-1-pyrimidin-5-ylpentan-1-ol (CID 116711705) is 2-methoxy-1-pyrimidin-5-ylpentan-1-ol.
What is the SMILES notation for 2-methoxy-1-pyrimidin-5-ylpentan-1-ol?
The canonical SMILES for 2-methoxy-1-pyrimidin-5-ylpentan-1-ol is CCCC(OC)C(O)c1cncnc1.
What is the InChIKey of 2-methoxy-1-pyrimidin-5-ylpentan-1-ol?
The InChIKey is QBCSQKCBZDYNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-4-9(14-2)10(13)8-5-11-7-12-6-8/h5-7,9-10,13H,3-4H2,1-2H3.
What are the key properties of 2-methoxy-1-pyrimidin-5-ylpentan-1-ol?
2-methoxy-1-pyrimidin-5-ylpentan-1-ol has a molecular weight of 196.25 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-pyrimidin-5-ylpentan-1-ol is sourced from PubChem (CID 116711705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).