1,1-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine

C8H13N5O — CID 135488785

IUPAC1,1-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
SMILESCc1cc(=O)[nH]c(/N=C(/N)N(C)C)n1
InChIInChI=1S/C8H13N5O/c1-5-4-6(14)11-8(10-5)12-7(9)13(2)3/h4H,1-3H3,(H3,9,10,11,12,14)
InChIKeyUBEUFRJKUAYVIJ-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.41
Rot. Bonds1

About 1,1-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine

1,1-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine (PubChem CID 135488785) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 1,1-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine.

Molecular Properties

Compound Name1,1-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
PubChem CID135488785
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name1,1-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
SMILESCc1cc(=O)[nH]c(/N=C(/N)N(C)C)n1
InChIInChI=1S/C8H13N5O/c1-5-4-6(14)11-8(10-5)12-7(9)13(2)3/h4H,1-3H3,(H3,9,10,11,12,14)
InChIKeyUBEUFRJKUAYVIJ-UHFFFAOYSA-N
XLogP-0.41
TPSA87.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.41
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 1,1-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine?
The IUPAC name of 1,1-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine (CID 135488785) is 1,1-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine.
What is the SMILES notation for 1,1-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine?
The canonical SMILES for 1,1-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine is Cc1cc(=O)[nH]c(/N=C(/N)N(C)C)n1.
What is the InChIKey of 1,1-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine?
The InChIKey is UBEUFRJKUAYVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-5-4-6(14)11-8(10-5)12-7(9)13(2)3/h4H,1-3H3,(H3,9,10,11,12,14).
What are the key properties of 1,1-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine?
1,1-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine has a molecular weight of 195.23 g/mol, XLogP of -0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine is sourced from PubChem (CID 135488785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).