2-(2,6-dimethoxypyrimidin-4-yl)-1-methoxyguanidine

C8H13N5O3 — CID 21293848

IUPAC2-(2,6-dimethoxypyrimidin-4-yl)-1-methoxyguanidine
SMILESCON/C(N)=N\c1cc(OC)nc(OC)n1
InChIInChI=1S/C8H13N5O3/c1-14-6-4-5(10-7(9)13-16-3)11-8(12-6)15-2/h4H,1-3H3,(H3,9,10,11,12,13)
InChIKeyRCOHSEQDOSHWFI-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.41
Rot. Bonds4

About 2-(2,6-dimethoxypyrimidin-4-yl)-1-methoxyguanidine

2-(2,6-dimethoxypyrimidin-4-yl)-1-methoxyguanidine (PubChem CID 21293848) has the molecular formula C8H13N5O3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-(2,6-dimethoxypyrimidin-4-yl)-1-methoxyguanidine.

Molecular Properties

Compound Name2-(2,6-dimethoxypyrimidin-4-yl)-1-methoxyguanidine
PubChem CID21293848
Molecular FormulaC8H13N5O3
Molecular Weight227.22 g/mol
Exact Mass227.10
IUPAC Name2-(2,6-dimethoxypyrimidin-4-yl)-1-methoxyguanidine
SMILESCON/C(N)=N\c1cc(OC)nc(OC)n1
InChIInChI=1S/C8H13N5O3/c1-14-6-4-5(10-7(9)13-16-3)11-8(12-6)15-2/h4H,1-3H3,(H3,9,10,11,12,13)
InChIKeyRCOHSEQDOSHWFI-UHFFFAOYSA-N
XLogP-0.41
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxypyrimidin-4-yl)-1-methoxyguanidine?
The IUPAC name of 2-(2,6-dimethoxypyrimidin-4-yl)-1-methoxyguanidine (CID 21293848) is 2-(2,6-dimethoxypyrimidin-4-yl)-1-methoxyguanidine.
What is the SMILES notation for 2-(2,6-dimethoxypyrimidin-4-yl)-1-methoxyguanidine?
The canonical SMILES for 2-(2,6-dimethoxypyrimidin-4-yl)-1-methoxyguanidine is CON/C(N)=N\c1cc(OC)nc(OC)n1.
What is the InChIKey of 2-(2,6-dimethoxypyrimidin-4-yl)-1-methoxyguanidine?
The InChIKey is RCOHSEQDOSHWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O3/c1-14-6-4-5(10-7(9)13-16-3)11-8(12-6)15-2/h4H,1-3H3,(H3,9,10,11,12,13).
What are the key properties of 2-(2,6-dimethoxypyrimidin-4-yl)-1-methoxyguanidine?
2-(2,6-dimethoxypyrimidin-4-yl)-1-methoxyguanidine has a molecular weight of 227.22 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxypyrimidin-4-yl)-1-methoxyguanidine is sourced from PubChem (CID 21293848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).