2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-1-methoxyguanidine

C9H16N6O — CID 54217341

IUPAC2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-1-methoxyguanidine
SMILESCONC(N)=Nc1nc(C)cc(N(C)C)n1
InChIInChI=1S/C9H16N6O/c1-6-5-7(15(2)3)12-9(11-6)13-8(10)14-16-4/h5H,1-4H3,(H3,10,11,12,13,14)
InChIKeyQADDTSBIRHMUJI-UHFFFAOYSA-N
MW224.27 g/mol
LogP-0.05
Rot. Bonds3

About 2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-1-methoxyguanidine

2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-1-methoxyguanidine (PubChem CID 54217341) has the molecular formula C9H16N6O and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-1-methoxyguanidine.

Molecular Properties

Compound Name2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-1-methoxyguanidine
PubChem CID54217341
Molecular FormulaC9H16N6O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-1-methoxyguanidine
SMILESCONC(N)=Nc1nc(C)cc(N(C)C)n1
InChIInChI=1S/C9H16N6O/c1-6-5-7(15(2)3)12-9(11-6)13-8(10)14-16-4/h5H,1-4H3,(H3,10,11,12,13,14)
InChIKeyQADDTSBIRHMUJI-UHFFFAOYSA-N
XLogP-0.05
TPSA88.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
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 2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-1-methoxyguanidine?
The IUPAC name of 2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-1-methoxyguanidine (CID 54217341) is 2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-1-methoxyguanidine.
What is the SMILES notation for 2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-1-methoxyguanidine?
The canonical SMILES for 2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-1-methoxyguanidine is CONC(N)=Nc1nc(C)cc(N(C)C)n1.
What is the InChIKey of 2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-1-methoxyguanidine?
The InChIKey is QADDTSBIRHMUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O/c1-6-5-7(15(2)3)12-9(11-6)13-8(10)14-16-4/h5H,1-4H3,(H3,10,11,12,13,14).
What are the key properties of 2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-1-methoxyguanidine?
2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-1-methoxyguanidine has a molecular weight of 224.27 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-1-methoxyguanidine is sourced from PubChem (CID 54217341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).