(2-pyrimidin-5-ylpyrimidin-5-yl)methanol

C9H8N4O — CID 130800202

IUPAC(2-pyrimidin-5-ylpyrimidin-5-yl)methanol
SMILESOCc1cnc(-c2cncnc2)nc1
InChIInChI=1S/C9H8N4O/c14-5-7-1-12-9(13-2-7)8-3-10-6-11-4-8/h1-4,6,14H,5H2
InChIKeyOVTZDMAOEMEUKD-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.43
Rot. Bonds2

About (2-pyrimidin-5-ylpyrimidin-5-yl)methanol

(2-pyrimidin-5-ylpyrimidin-5-yl)methanol (PubChem CID 130800202) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is (2-pyrimidin-5-ylpyrimidin-5-yl)methanol.

Molecular Properties

Compound Name(2-pyrimidin-5-ylpyrimidin-5-yl)methanol
PubChem CID130800202
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name(2-pyrimidin-5-ylpyrimidin-5-yl)methanol
SMILESOCc1cnc(-c2cncnc2)nc1
InChIInChI=1S/C9H8N4O/c14-5-7-1-12-9(13-2-7)8-3-10-6-11-4-8/h1-4,6,14H,5H2
InChIKeyOVTZDMAOEMEUKD-UHFFFAOYSA-N
XLogP0.43
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-pyrimidin-5-ylpyrimidin-5-yl)methanol?
The IUPAC name of (2-pyrimidin-5-ylpyrimidin-5-yl)methanol (CID 130800202) is (2-pyrimidin-5-ylpyrimidin-5-yl)methanol.
What is the SMILES notation for (2-pyrimidin-5-ylpyrimidin-5-yl)methanol?
The canonical SMILES for (2-pyrimidin-5-ylpyrimidin-5-yl)methanol is OCc1cnc(-c2cncnc2)nc1.
What is the InChIKey of (2-pyrimidin-5-ylpyrimidin-5-yl)methanol?
The InChIKey is OVTZDMAOEMEUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c14-5-7-1-12-9(13-2-7)8-3-10-6-11-4-8/h1-4,6,14H,5H2.
What are the key properties of (2-pyrimidin-5-ylpyrimidin-5-yl)methanol?
(2-pyrimidin-5-ylpyrimidin-5-yl)methanol has a molecular weight of 188.19 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyrimidin-5-ylpyrimidin-5-yl)methanol is sourced from PubChem (CID 130800202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).