2-(5-amino-6-chloropyrimidin-4-yl)guanidine

C5H7ClN6 — CID 12789432

IUPAC2-(5-amino-6-chloropyrimidin-4-yl)guanidine
SMILESNC(N)=Nc1ncnc(Cl)c1N
InChIInChI=1S/C5H7ClN6/c6-3-2(7)4(11-1-10-3)12-5(8)9/h1H,7H2,(H4,8,9,10,11,12)
InChIKeyPUEDUUOKNDSVDR-UHFFFAOYSA-N
MW186.61 g/mol
LogP-0.38
Rot. Bonds1

About 2-(5-amino-6-chloropyrimidin-4-yl)guanidine

2-(5-amino-6-chloropyrimidin-4-yl)guanidine (PubChem CID 12789432) has the molecular formula C5H7ClN6 and a molecular weight of 186.61 g/mol. Its IUPAC name is 2-(5-amino-6-chloropyrimidin-4-yl)guanidine.

Molecular Properties

Compound Name2-(5-amino-6-chloropyrimidin-4-yl)guanidine
PubChem CID12789432
Molecular FormulaC5H7ClN6
Molecular Weight186.61 g/mol
Exact Mass186.04
IUPAC Name2-(5-amino-6-chloropyrimidin-4-yl)guanidine
SMILESNC(N)=Nc1ncnc(Cl)c1N
InChIInChI=1S/C5H7ClN6/c6-3-2(7)4(11-1-10-3)12-5(8)9/h1H,7H2,(H4,8,9,10,11,12)
InChIKeyPUEDUUOKNDSVDR-UHFFFAOYSA-N
XLogP-0.38
TPSA116.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.61
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(5-amino-6-chloropyrimidin-4-yl)guanidine 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 2-(5-amino-6-chloropyrimidin-4-yl)guanidine?
The IUPAC name of 2-(5-amino-6-chloropyrimidin-4-yl)guanidine (CID 12789432) is 2-(5-amino-6-chloropyrimidin-4-yl)guanidine.
What is the SMILES notation for 2-(5-amino-6-chloropyrimidin-4-yl)guanidine?
The canonical SMILES for 2-(5-amino-6-chloropyrimidin-4-yl)guanidine is NC(N)=Nc1ncnc(Cl)c1N.
What is the InChIKey of 2-(5-amino-6-chloropyrimidin-4-yl)guanidine?
The InChIKey is PUEDUUOKNDSVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN6/c6-3-2(7)4(11-1-10-3)12-5(8)9/h1H,7H2,(H4,8,9,10,11,12).
What are the key properties of 2-(5-amino-6-chloropyrimidin-4-yl)guanidine?
2-(5-amino-6-chloropyrimidin-4-yl)guanidine has a molecular weight of 186.61 g/mol, XLogP of -0.38, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-6-chloropyrimidin-4-yl)guanidine is sourced from PubChem (CID 12789432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).