1-methoxy-2-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)guanidine

C7H11N5O3 — CID 90006092

IUPAC1-methoxy-2-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)guanidine
SMILESCON/C(N)=N\c1ncc(OC)c(=O)[nH]1
InChIInChI=1S/C7H11N5O3/c1-14-4-3-9-7(10-5(4)13)11-6(8)12-15-2/h3H,1-2H3,(H4,8,9,10,11,12,13)
InChIKeyRIVWWVPVKIIGKT-UHFFFAOYSA-N
MW213.20 g/mol
LogP-1.12
Rot. Bonds3

About 1-methoxy-2-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)guanidine

1-methoxy-2-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)guanidine (PubChem CID 90006092) has the molecular formula C7H11N5O3 and a molecular weight of 213.20 g/mol. Its IUPAC name is 1-methoxy-2-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)guanidine.

Molecular Properties

Compound Name1-methoxy-2-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)guanidine
PubChem CID90006092
Molecular FormulaC7H11N5O3
Molecular Weight213.20 g/mol
Exact Mass213.09
IUPAC Name1-methoxy-2-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)guanidine
SMILESCON/C(N)=N\c1ncc(OC)c(=O)[nH]1
InChIInChI=1S/C7H11N5O3/c1-14-4-3-9-7(10-5(4)13)11-6(8)12-15-2/h3H,1-2H3,(H4,8,9,10,11,12,13)
InChIKeyRIVWWVPVKIIGKT-UHFFFAOYSA-N
XLogP-1.12
TPSA114.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 1-methoxy-2-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)guanidine?
The IUPAC name of 1-methoxy-2-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)guanidine (CID 90006092) is 1-methoxy-2-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)guanidine.
What is the SMILES notation for 1-methoxy-2-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)guanidine?
The canonical SMILES for 1-methoxy-2-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)guanidine is CON/C(N)=N\c1ncc(OC)c(=O)[nH]1.
What is the InChIKey of 1-methoxy-2-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)guanidine?
The InChIKey is RIVWWVPVKIIGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O3/c1-14-4-3-9-7(10-5(4)13)11-6(8)12-15-2/h3H,1-2H3,(H4,8,9,10,11,12,13).
What are the key properties of 1-methoxy-2-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)guanidine?
1-methoxy-2-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)guanidine has a molecular weight of 213.20 g/mol, XLogP of -1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)guanidine is sourced from PubChem (CID 90006092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).