[2-(hydroxymethyl)-6-methoxy-5-methylpyrimidin-4-yl]methanol

C8H12N2O3 — CID 10012609

IUPAC[2-(hydroxymethyl)-6-methoxy-5-methylpyrimidin-4-yl]methanol
SMILESCOc1nc(CO)nc(CO)c1C
InChIInChI=1S/C8H12N2O3/c1-5-6(3-11)9-7(4-12)10-8(5)13-2/h11-12H,3-4H2,1-2H3
InChIKeyMGIJDMRSZGLMKT-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.22
Rot. Bonds3

About [2-(hydroxymethyl)-6-methoxy-5-methylpyrimidin-4-yl]methanol

[2-(hydroxymethyl)-6-methoxy-5-methylpyrimidin-4-yl]methanol (PubChem CID 10012609) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is [2-(hydroxymethyl)-6-methoxy-5-methylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-(hydroxymethyl)-6-methoxy-5-methylpyrimidin-4-yl]methanol
PubChem CID10012609
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name[2-(hydroxymethyl)-6-methoxy-5-methylpyrimidin-4-yl]methanol
SMILESCOc1nc(CO)nc(CO)c1C
InChIInChI=1S/C8H12N2O3/c1-5-6(3-11)9-7(4-12)10-8(5)13-2/h11-12H,3-4H2,1-2H3
InChIKeyMGIJDMRSZGLMKT-UHFFFAOYSA-N
XLogP-0.22
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-6-methoxy-5-methylpyrimidin-4-yl]methanol?
The IUPAC name of [2-(hydroxymethyl)-6-methoxy-5-methylpyrimidin-4-yl]methanol (CID 10012609) is [2-(hydroxymethyl)-6-methoxy-5-methylpyrimidin-4-yl]methanol.
What is the SMILES notation for [2-(hydroxymethyl)-6-methoxy-5-methylpyrimidin-4-yl]methanol?
The canonical SMILES for [2-(hydroxymethyl)-6-methoxy-5-methylpyrimidin-4-yl]methanol is COc1nc(CO)nc(CO)c1C.
What is the InChIKey of [2-(hydroxymethyl)-6-methoxy-5-methylpyrimidin-4-yl]methanol?
The InChIKey is MGIJDMRSZGLMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5-6(3-11)9-7(4-12)10-8(5)13-2/h11-12H,3-4H2,1-2H3.
What are the key properties of [2-(hydroxymethyl)-6-methoxy-5-methylpyrimidin-4-yl]methanol?
[2-(hydroxymethyl)-6-methoxy-5-methylpyrimidin-4-yl]methanol has a molecular weight of 184.19 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-6-methoxy-5-methylpyrimidin-4-yl]methanol is sourced from PubChem (CID 10012609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).