2-methyl-1-pyrimidin-5-ylpropane-1,2-diol

C8H12N2O2 — CID 103448932

IUPAC2-methyl-1-pyrimidin-5-ylpropane-1,2-diol
SMILESCC(C)(O)C(O)c1cncnc1
InChIInChI=1S/C8H12N2O2/c1-8(2,12)7(11)6-3-9-5-10-4-6/h3-5,7,11-12H,1-2H3
InChIKeyKDEDUZCWLUHLAG-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.28
Rot. Bonds2

About 2-methyl-1-pyrimidin-5-ylpropane-1,2-diol

2-methyl-1-pyrimidin-5-ylpropane-1,2-diol (PubChem CID 103448932) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-methyl-1-pyrimidin-5-ylpropane-1,2-diol.

Molecular Properties

Compound Name2-methyl-1-pyrimidin-5-ylpropane-1,2-diol
PubChem CID103448932
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-methyl-1-pyrimidin-5-ylpropane-1,2-diol
SMILESCC(C)(O)C(O)c1cncnc1
InChIInChI=1S/C8H12N2O2/c1-8(2,12)7(11)6-3-9-5-10-4-6/h3-5,7,11-12H,1-2H3
InChIKeyKDEDUZCWLUHLAG-UHFFFAOYSA-N
XLogP0.28
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pyrimidin-5-ylpropane-1,2-diol?
The IUPAC name of 2-methyl-1-pyrimidin-5-ylpropane-1,2-diol (CID 103448932) is 2-methyl-1-pyrimidin-5-ylpropane-1,2-diol.
What is the SMILES notation for 2-methyl-1-pyrimidin-5-ylpropane-1,2-diol?
The canonical SMILES for 2-methyl-1-pyrimidin-5-ylpropane-1,2-diol is CC(C)(O)C(O)c1cncnc1.
What is the InChIKey of 2-methyl-1-pyrimidin-5-ylpropane-1,2-diol?
The InChIKey is KDEDUZCWLUHLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-8(2,12)7(11)6-3-9-5-10-4-6/h3-5,7,11-12H,1-2H3.
What are the key properties of 2-methyl-1-pyrimidin-5-ylpropane-1,2-diol?
2-methyl-1-pyrimidin-5-ylpropane-1,2-diol has a molecular weight of 168.20 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pyrimidin-5-ylpropane-1,2-diol is sourced from PubChem (CID 103448932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).