(4-pyrimidin-2-ylmorpholin-2-yl)methanol

C9H13N3O2 — CID 54423499

IUPAC(4-pyrimidin-2-ylmorpholin-2-yl)methanol
SMILESOCC1CN(c2ncccn2)CCO1
InChIInChI=1S/C9H13N3O2/c13-7-8-6-12(4-5-14-8)9-10-2-1-3-11-9/h1-3,8,13H,4-7H2
InChIKeyWCLNYIIZHPQYLS-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.33
Rot. Bonds2

About (4-pyrimidin-2-ylmorpholin-2-yl)methanol

(4-pyrimidin-2-ylmorpholin-2-yl)methanol (PubChem CID 54423499) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is (4-pyrimidin-2-ylmorpholin-2-yl)methanol.

Molecular Properties

Compound Name(4-pyrimidin-2-ylmorpholin-2-yl)methanol
PubChem CID54423499
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name(4-pyrimidin-2-ylmorpholin-2-yl)methanol
SMILESOCC1CN(c2ncccn2)CCO1
InChIInChI=1S/C9H13N3O2/c13-7-8-6-12(4-5-14-8)9-10-2-1-3-11-9/h1-3,8,13H,4-7H2
InChIKeyWCLNYIIZHPQYLS-UHFFFAOYSA-N
XLogP-0.33
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-pyrimidin-2-ylmorpholin-2-yl)methanol?
The IUPAC name of (4-pyrimidin-2-ylmorpholin-2-yl)methanol (CID 54423499) is (4-pyrimidin-2-ylmorpholin-2-yl)methanol.
What is the SMILES notation for (4-pyrimidin-2-ylmorpholin-2-yl)methanol?
The canonical SMILES for (4-pyrimidin-2-ylmorpholin-2-yl)methanol is OCC1CN(c2ncccn2)CCO1.
What is the InChIKey of (4-pyrimidin-2-ylmorpholin-2-yl)methanol?
The InChIKey is WCLNYIIZHPQYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-7-8-6-12(4-5-14-8)9-10-2-1-3-11-9/h1-3,8,13H,4-7H2.
What are the key properties of (4-pyrimidin-2-ylmorpholin-2-yl)methanol?
(4-pyrimidin-2-ylmorpholin-2-yl)methanol has a molecular weight of 195.22 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrimidin-2-ylmorpholin-2-yl)methanol is sourced from PubChem (CID 54423499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).