2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylguanidine

C9H15N5O — CID 135478681

IUPAC2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylguanidine
SMILESCc1nc(/N=C(/N)N(C)C)[nH]c(=O)c1C
InChIInChI=1S/C9H15N5O/c1-5-6(2)11-9(12-7(5)15)13-8(10)14(3)4/h1-4H3,(H3,10,11,12,13,15)
InChIKeyLGMZMFVECQCXFA-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.11
Rot. Bonds1

About 2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylguanidine

2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylguanidine (PubChem CID 135478681) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylguanidine
PubChem CID135478681
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylguanidine
SMILESCc1nc(/N=C(/N)N(C)C)[nH]c(=O)c1C
InChIInChI=1S/C9H15N5O/c1-5-6(2)11-9(12-7(5)15)13-8(10)14(3)4/h1-4H3,(H3,10,11,12,13,15)
InChIKeyLGMZMFVECQCXFA-UHFFFAOYSA-N
XLogP-0.11
TPSA87.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylguanidine?
The IUPAC name of 2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylguanidine (CID 135478681) is 2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylguanidine.
What is the SMILES notation for 2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylguanidine?
The canonical SMILES for 2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylguanidine is Cc1nc(/N=C(/N)N(C)C)[nH]c(=O)c1C.
What is the InChIKey of 2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylguanidine?
The InChIKey is LGMZMFVECQCXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-5-6(2)11-9(12-7(5)15)13-8(10)14(3)4/h1-4H3,(H3,10,11,12,13,15).
What are the key properties of 2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylguanidine?
2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylguanidine has a molecular weight of 209.25 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylguanidine is sourced from PubChem (CID 135478681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).