1-(5-methylpyrimidin-2-yl)ethane-1,2-diol

C7H10N2O2 — CID 122701977

IUPAC1-(5-methylpyrimidin-2-yl)ethane-1,2-diol
SMILESCc1cnc(C(O)CO)nc1
InChIInChI=1S/C7H10N2O2/c1-5-2-8-7(9-3-5)6(11)4-10/h2-3,6,10-11H,4H2,1H3
InChIKeyODNITOCEMQSTDG-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.19
Rot. Bonds2

About 1-(5-methylpyrimidin-2-yl)ethane-1,2-diol

1-(5-methylpyrimidin-2-yl)ethane-1,2-diol (PubChem CID 122701977) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-(5-methylpyrimidin-2-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(5-methylpyrimidin-2-yl)ethane-1,2-diol
PubChem CID122701977
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name1-(5-methylpyrimidin-2-yl)ethane-1,2-diol
SMILESCc1cnc(C(O)CO)nc1
InChIInChI=1S/C7H10N2O2/c1-5-2-8-7(9-3-5)6(11)4-10/h2-3,6,10-11H,4H2,1H3
InChIKeyODNITOCEMQSTDG-UHFFFAOYSA-N
XLogP-0.19
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylpyrimidin-2-yl)ethane-1,2-diol?
The IUPAC name of 1-(5-methylpyrimidin-2-yl)ethane-1,2-diol (CID 122701977) is 1-(5-methylpyrimidin-2-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(5-methylpyrimidin-2-yl)ethane-1,2-diol?
The canonical SMILES for 1-(5-methylpyrimidin-2-yl)ethane-1,2-diol is Cc1cnc(C(O)CO)nc1.
What is the InChIKey of 1-(5-methylpyrimidin-2-yl)ethane-1,2-diol?
The InChIKey is ODNITOCEMQSTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5-2-8-7(9-3-5)6(11)4-10/h2-3,6,10-11H,4H2,1H3.
What are the key properties of 1-(5-methylpyrimidin-2-yl)ethane-1,2-diol?
1-(5-methylpyrimidin-2-yl)ethane-1,2-diol has a molecular weight of 154.17 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylpyrimidin-2-yl)ethane-1,2-diol is sourced from PubChem (CID 122701977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).