(2-aminopyrimidin-5-yl)-methoxymethanol

C6H9N3O2 — CID 126747631

IUPAC(2-aminopyrimidin-5-yl)-methoxymethanol
SMILESCOC(O)c1cnc(N)nc1
InChIInChI=1S/C6H9N3O2/c1-11-5(10)4-2-8-6(7)9-3-4/h2-3,5,10H,1H3,(H2,7,8,9)
InChIKeyHVXXOSGZDYIDRA-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.30
Rot. Bonds2

About (2-aminopyrimidin-5-yl)-methoxymethanol

(2-aminopyrimidin-5-yl)-methoxymethanol (PubChem CID 126747631) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is (2-aminopyrimidin-5-yl)-methoxymethanol.

Molecular Properties

Compound Name(2-aminopyrimidin-5-yl)-methoxymethanol
PubChem CID126747631
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name(2-aminopyrimidin-5-yl)-methoxymethanol
SMILESCOC(O)c1cnc(N)nc1
InChIInChI=1S/C6H9N3O2/c1-11-5(10)4-2-8-6(7)9-3-4/h2-3,5,10H,1H3,(H2,7,8,9)
InChIKeyHVXXOSGZDYIDRA-UHFFFAOYSA-N
XLogP-0.30
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-aminopyrimidin-5-yl)-methoxymethanol?
The IUPAC name of (2-aminopyrimidin-5-yl)-methoxymethanol (CID 126747631) is (2-aminopyrimidin-5-yl)-methoxymethanol.
What is the SMILES notation for (2-aminopyrimidin-5-yl)-methoxymethanol?
The canonical SMILES for (2-aminopyrimidin-5-yl)-methoxymethanol is COC(O)c1cnc(N)nc1.
What is the InChIKey of (2-aminopyrimidin-5-yl)-methoxymethanol?
The InChIKey is HVXXOSGZDYIDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-11-5(10)4-2-8-6(7)9-3-4/h2-3,5,10H,1H3,(H2,7,8,9).
What are the key properties of (2-aminopyrimidin-5-yl)-methoxymethanol?
(2-aminopyrimidin-5-yl)-methoxymethanol has a molecular weight of 155.16 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminopyrimidin-5-yl)-methoxymethanol is sourced from PubChem (CID 126747631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).