[2-[(3-methylimidazol-4-yl)methoxy]pyrimidin-4-yl]methanol

C10H12N4O2 — CID 118157182

IUPAC[2-[(3-methylimidazol-4-yl)methoxy]pyrimidin-4-yl]methanol
SMILESCn1cncc1COc1nccc(CO)n1
InChIInChI=1S/C10H12N4O2/c1-14-7-11-4-9(14)6-16-10-12-3-2-8(5-15)13-10/h2-4,7,15H,5-6H2,1H3
InChIKeyASEBUOFZRAQHEF-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.28
Rot. Bonds4

About [2-[(3-methylimidazol-4-yl)methoxy]pyrimidin-4-yl]methanol

[2-[(3-methylimidazol-4-yl)methoxy]pyrimidin-4-yl]methanol (PubChem CID 118157182) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is [2-[(3-methylimidazol-4-yl)methoxy]pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-[(3-methylimidazol-4-yl)methoxy]pyrimidin-4-yl]methanol
PubChem CID118157182
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name[2-[(3-methylimidazol-4-yl)methoxy]pyrimidin-4-yl]methanol
SMILESCn1cncc1COc1nccc(CO)n1
InChIInChI=1S/C10H12N4O2/c1-14-7-11-4-9(14)6-16-10-12-3-2-8(5-15)13-10/h2-4,7,15H,5-6H2,1H3
InChIKeyASEBUOFZRAQHEF-UHFFFAOYSA-N
XLogP0.28
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-methylimidazol-4-yl)methoxy]pyrimidin-4-yl]methanol?
The IUPAC name of [2-[(3-methylimidazol-4-yl)methoxy]pyrimidin-4-yl]methanol (CID 118157182) is [2-[(3-methylimidazol-4-yl)methoxy]pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-[(3-methylimidazol-4-yl)methoxy]pyrimidin-4-yl]methanol?
The canonical SMILES for [2-[(3-methylimidazol-4-yl)methoxy]pyrimidin-4-yl]methanol is Cn1cncc1COc1nccc(CO)n1.
What is the InChIKey of [2-[(3-methylimidazol-4-yl)methoxy]pyrimidin-4-yl]methanol?
The InChIKey is ASEBUOFZRAQHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-14-7-11-4-9(14)6-16-10-12-3-2-8(5-15)13-10/h2-4,7,15H,5-6H2,1H3.
What are the key properties of [2-[(3-methylimidazol-4-yl)methoxy]pyrimidin-4-yl]methanol?
[2-[(3-methylimidazol-4-yl)methoxy]pyrimidin-4-yl]methanol has a molecular weight of 220.23 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methylimidazol-4-yl)methoxy]pyrimidin-4-yl]methanol is sourced from PubChem (CID 118157182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).