3-(4,6-dichloropyrimidin-5-yl)propane-1,2-diol

C7H8Cl2N2O2 — CID 118593395

IUPAC3-(4,6-dichloropyrimidin-5-yl)propane-1,2-diol
SMILESOCC(O)Cc1c(Cl)ncnc1Cl
InChIInChI=1S/C7H8Cl2N2O2/c8-6-5(1-4(13)2-12)7(9)11-3-10-6/h3-4,12-13H,1-2H2
InChIKeyQHMGMFQSFTXLIJ-UHFFFAOYSA-N
MW223.06 g/mol
LogP0.68
Rot. Bonds3

About 3-(4,6-dichloropyrimidin-5-yl)propane-1,2-diol

3-(4,6-dichloropyrimidin-5-yl)propane-1,2-diol (PubChem CID 118593395) has the molecular formula C7H8Cl2N2O2 and a molecular weight of 223.06 g/mol. Its IUPAC name is 3-(4,6-dichloropyrimidin-5-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(4,6-dichloropyrimidin-5-yl)propane-1,2-diol
PubChem CID118593395
Molecular FormulaC7H8Cl2N2O2
Molecular Weight223.06 g/mol
Exact Mass222.00
IUPAC Name3-(4,6-dichloropyrimidin-5-yl)propane-1,2-diol
SMILESOCC(O)Cc1c(Cl)ncnc1Cl
InChIInChI=1S/C7H8Cl2N2O2/c8-6-5(1-4(13)2-12)7(9)11-3-10-6/h3-4,12-13H,1-2H2
InChIKeyQHMGMFQSFTXLIJ-UHFFFAOYSA-N
XLogP0.68
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.06
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dichloropyrimidin-5-yl)propane-1,2-diol?
The IUPAC name of 3-(4,6-dichloropyrimidin-5-yl)propane-1,2-diol (CID 118593395) is 3-(4,6-dichloropyrimidin-5-yl)propane-1,2-diol.
What is the SMILES notation for 3-(4,6-dichloropyrimidin-5-yl)propane-1,2-diol?
The canonical SMILES for 3-(4,6-dichloropyrimidin-5-yl)propane-1,2-diol is OCC(O)Cc1c(Cl)ncnc1Cl.
What is the InChIKey of 3-(4,6-dichloropyrimidin-5-yl)propane-1,2-diol?
The InChIKey is QHMGMFQSFTXLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2O2/c8-6-5(1-4(13)2-12)7(9)11-3-10-6/h3-4,12-13H,1-2H2.
What are the key properties of 3-(4,6-dichloropyrimidin-5-yl)propane-1,2-diol?
3-(4,6-dichloropyrimidin-5-yl)propane-1,2-diol has a molecular weight of 223.06 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dichloropyrimidin-5-yl)propane-1,2-diol is sourced from PubChem (CID 118593395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).