3-[3-(pyrimidin-2-ylmethyl)imidazol-4-yl]propan-1-ol

C11H14N4O — CID 14577638

IUPAC3-[3-(pyrimidin-2-ylmethyl)imidazol-4-yl]propan-1-ol
SMILESOCCCc1cncn1Cc1ncccn1
InChIInChI=1S/C11H14N4O/c16-6-1-3-10-7-12-9-15(10)8-11-13-4-2-5-14-11/h2,4-5,7,9,16H,1,3,6,8H2
InChIKeyKYLHYXHXOKDRCH-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.65
Rot. Bonds5

About 3-[3-(pyrimidin-2-ylmethyl)imidazol-4-yl]propan-1-ol

3-[3-(pyrimidin-2-ylmethyl)imidazol-4-yl]propan-1-ol (PubChem CID 14577638) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-[3-(pyrimidin-2-ylmethyl)imidazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(pyrimidin-2-ylmethyl)imidazol-4-yl]propan-1-ol
PubChem CID14577638
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-[3-(pyrimidin-2-ylmethyl)imidazol-4-yl]propan-1-ol
SMILESOCCCc1cncn1Cc1ncccn1
InChIInChI=1S/C11H14N4O/c16-6-1-3-10-7-12-9-15(10)8-11-13-4-2-5-14-11/h2,4-5,7,9,16H,1,3,6,8H2
InChIKeyKYLHYXHXOKDRCH-UHFFFAOYSA-N
XLogP0.65
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(pyrimidin-2-ylmethyl)imidazol-4-yl]propan-1-ol?
The IUPAC name of 3-[3-(pyrimidin-2-ylmethyl)imidazol-4-yl]propan-1-ol (CID 14577638) is 3-[3-(pyrimidin-2-ylmethyl)imidazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(pyrimidin-2-ylmethyl)imidazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[3-(pyrimidin-2-ylmethyl)imidazol-4-yl]propan-1-ol is OCCCc1cncn1Cc1ncccn1.
What is the InChIKey of 3-[3-(pyrimidin-2-ylmethyl)imidazol-4-yl]propan-1-ol?
The InChIKey is KYLHYXHXOKDRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c16-6-1-3-10-7-12-9-15(10)8-11-13-4-2-5-14-11/h2,4-5,7,9,16H,1,3,6,8H2.
What are the key properties of 3-[3-(pyrimidin-2-ylmethyl)imidazol-4-yl]propan-1-ol?
3-[3-(pyrimidin-2-ylmethyl)imidazol-4-yl]propan-1-ol has a molecular weight of 218.26 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(pyrimidin-2-ylmethyl)imidazol-4-yl]propan-1-ol is sourced from PubChem (CID 14577638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).