1,1,3,3-tetramethyl-2-(2-oxo-1H-pyrimidin-6-yl)guanidine

C9H15N5O — CID 67134832

IUPAC1,1,3,3-tetramethyl-2-(2-oxo-1H-pyrimidin-6-yl)guanidine
SMILESCN(C)C(=Nc1ccnc(=O)[nH]1)N(C)C
InChIInChI=1S/C9H15N5O/c1-13(2)9(14(3)4)12-7-5-6-10-8(15)11-7/h5-6H,1-4H3,(H,10,11,15)
InChIKeyRJFXFNZAHWATFY-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.12
Rot. Bonds1

About 1,1,3,3-tetramethyl-2-(2-oxo-1H-pyrimidin-6-yl)guanidine

1,1,3,3-tetramethyl-2-(2-oxo-1H-pyrimidin-6-yl)guanidine (PubChem CID 67134832) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-(2-oxo-1H-pyrimidin-6-yl)guanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-(2-oxo-1H-pyrimidin-6-yl)guanidine
PubChem CID67134832
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name1,1,3,3-tetramethyl-2-(2-oxo-1H-pyrimidin-6-yl)guanidine
SMILESCN(C)C(=Nc1ccnc(=O)[nH]1)N(C)C
InChIInChI=1S/C9H15N5O/c1-13(2)9(14(3)4)12-7-5-6-10-8(15)11-7/h5-6H,1-4H3,(H,10,11,15)
InChIKeyRJFXFNZAHWATFY-UHFFFAOYSA-N
XLogP-0.12
TPSA64.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
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 1,1,3,3-tetramethyl-2-(2-oxo-1H-pyrimidin-6-yl)guanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-(2-oxo-1H-pyrimidin-6-yl)guanidine (CID 67134832) is 1,1,3,3-tetramethyl-2-(2-oxo-1H-pyrimidin-6-yl)guanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-(2-oxo-1H-pyrimidin-6-yl)guanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-(2-oxo-1H-pyrimidin-6-yl)guanidine is CN(C)C(=Nc1ccnc(=O)[nH]1)N(C)C.
What is the InChIKey of 1,1,3,3-tetramethyl-2-(2-oxo-1H-pyrimidin-6-yl)guanidine?
The InChIKey is RJFXFNZAHWATFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-13(2)9(14(3)4)12-7-5-6-10-8(15)11-7/h5-6H,1-4H3,(H,10,11,15).
What are the key properties of 1,1,3,3-tetramethyl-2-(2-oxo-1H-pyrimidin-6-yl)guanidine?
1,1,3,3-tetramethyl-2-(2-oxo-1H-pyrimidin-6-yl)guanidine has a molecular weight of 209.25 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-(2-oxo-1H-pyrimidin-6-yl)guanidine is sourced from PubChem (CID 67134832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).