1,1-dimethyl-2-pyrimidin-2-ylguanidine

C7H11N5 — CID 50988937

IUPAC1,1-dimethyl-2-pyrimidin-2-ylguanidine
SMILESCN(C)/C(N)=N/c1ncccn1
InChIInChI=1S/C7H11N5/c1-12(2)6(8)11-7-9-4-3-5-10-7/h3-5H,1-2H3,(H2,8,9,10,11)
InChIKeyNSOMAUOFFPXTCX-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.02
Rot. Bonds1

About 1,1-dimethyl-2-pyrimidin-2-ylguanidine

1,1-dimethyl-2-pyrimidin-2-ylguanidine (PubChem CID 50988937) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is 1,1-dimethyl-2-pyrimidin-2-ylguanidine.

Molecular Properties

Compound Name1,1-dimethyl-2-pyrimidin-2-ylguanidine
PubChem CID50988937
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC Name1,1-dimethyl-2-pyrimidin-2-ylguanidine
SMILESCN(C)/C(N)=N/c1ncccn1
InChIInChI=1S/C7H11N5/c1-12(2)6(8)11-7-9-4-3-5-10-7/h3-5H,1-2H3,(H2,8,9,10,11)
InChIKeyNSOMAUOFFPXTCX-UHFFFAOYSA-N
XLogP-0.02
TPSA67.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.02
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'}

Analyze 1,1-dimethyl-2-pyrimidin-2-ylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-pyrimidin-2-ylguanidine?
The IUPAC name of 1,1-dimethyl-2-pyrimidin-2-ylguanidine (CID 50988937) is 1,1-dimethyl-2-pyrimidin-2-ylguanidine.
What is the SMILES notation for 1,1-dimethyl-2-pyrimidin-2-ylguanidine?
The canonical SMILES for 1,1-dimethyl-2-pyrimidin-2-ylguanidine is CN(C)/C(N)=N/c1ncccn1.
What is the InChIKey of 1,1-dimethyl-2-pyrimidin-2-ylguanidine?
The InChIKey is NSOMAUOFFPXTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5/c1-12(2)6(8)11-7-9-4-3-5-10-7/h3-5H,1-2H3,(H2,8,9,10,11).
What are the key properties of 1,1-dimethyl-2-pyrimidin-2-ylguanidine?
1,1-dimethyl-2-pyrimidin-2-ylguanidine has a molecular weight of 165.20 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-pyrimidin-2-ylguanidine is sourced from PubChem (CID 50988937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).