(4,6-dichloropyrimidin-5-yl)methanol

C5H4Cl2N2O — CID 53393188

IUPAC(4,6-dichloropyrimidin-5-yl)methanol
SMILESOCc1c(Cl)ncnc1Cl
InChIInChI=1S/C5H4Cl2N2O/c6-4-3(1-10)5(7)9-2-8-4/h2,10H,1H2
InChIKeyOXXRISGDUFMBMW-UHFFFAOYSA-N
MW179.01 g/mol
LogP1.28
Rot. Bonds1

About (4,6-dichloropyrimidin-5-yl)methanol

(4,6-dichloropyrimidin-5-yl)methanol (PubChem CID 53393188) has the molecular formula C5H4Cl2N2O and a molecular weight of 179.01 g/mol. Its IUPAC name is (4,6-dichloropyrimidin-5-yl)methanol.

Molecular Properties

Compound Name(4,6-dichloropyrimidin-5-yl)methanol
PubChem CID53393188
Molecular FormulaC5H4Cl2N2O
Molecular Weight179.01 g/mol
Exact Mass177.97
IUPAC Name(4,6-dichloropyrimidin-5-yl)methanol
SMILESOCc1c(Cl)ncnc1Cl
InChIInChI=1S/C5H4Cl2N2O/c6-4-3(1-10)5(7)9-2-8-4/h2,10H,1H2
InChIKeyOXXRISGDUFMBMW-UHFFFAOYSA-N
XLogP1.28
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.01
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,6-dichloropyrimidin-5-yl)methanol?
The IUPAC name of (4,6-dichloropyrimidin-5-yl)methanol (CID 53393188) is (4,6-dichloropyrimidin-5-yl)methanol.
What is the SMILES notation for (4,6-dichloropyrimidin-5-yl)methanol?
The canonical SMILES for (4,6-dichloropyrimidin-5-yl)methanol is OCc1c(Cl)ncnc1Cl.
What is the InChIKey of (4,6-dichloropyrimidin-5-yl)methanol?
The InChIKey is OXXRISGDUFMBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2N2O/c6-4-3(1-10)5(7)9-2-8-4/h2,10H,1H2.
What are the key properties of (4,6-dichloropyrimidin-5-yl)methanol?
(4,6-dichloropyrimidin-5-yl)methanol has a molecular weight of 179.01 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dichloropyrimidin-5-yl)methanol is sourced from PubChem (CID 53393188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).