2-[2-(pyrimidin-2-ylamino)ethyl]guanidine

C7H12N6 — CID 130723153

IUPAC2-[2-(pyrimidin-2-ylamino)ethyl]guanidine
SMILESNC(N)=NCCNc1ncccn1
InChIInChI=1S/C7H12N6/c8-6(9)10-4-5-13-7-11-2-1-3-12-7/h1-3H,4-5H2,(H4,8,9,10)(H,11,12,13)
InChIKeyKNEIYODCBFCSLG-UHFFFAOYSA-N
MW180.22 g/mol
LogP-0.84
Rot. Bonds4

About 2-[2-(pyrimidin-2-ylamino)ethyl]guanidine

2-[2-(pyrimidin-2-ylamino)ethyl]guanidine (PubChem CID 130723153) has the molecular formula C7H12N6 and a molecular weight of 180.22 g/mol. Its IUPAC name is 2-[2-(pyrimidin-2-ylamino)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(pyrimidin-2-ylamino)ethyl]guanidine
PubChem CID130723153
Molecular FormulaC7H12N6
Molecular Weight180.22 g/mol
Exact Mass180.11
IUPAC Name2-[2-(pyrimidin-2-ylamino)ethyl]guanidine
SMILESNC(N)=NCCNc1ncccn1
InChIInChI=1S/C7H12N6/c8-6(9)10-4-5-13-7-11-2-1-3-12-7/h1-3H,4-5H2,(H4,8,9,10)(H,11,12,13)
InChIKeyKNEIYODCBFCSLG-UHFFFAOYSA-N
XLogP-0.84
TPSA102.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(pyrimidin-2-ylamino)ethyl]guanidine with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-(pyridazin-3-ylamino)ethyl]guanidine
CID 130785372
2-methyl-1-[2-(pyrimidin-2-ylamino)ethyl]guanidine;hydroiodide
CID 130686325
N,N'-di(pyrimidin-2-yl)dodecane-1,12-diamine
CID 169229750
2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine
CID 504257
N-(2-iodoethyl)pyrimidin-2-amine
CID 122607356
2-[2-(3-bromoanilino)ethyl]guanidine;hydroiodide
CID 110004732
N-(14-azidotetradecyl)pyrimidin-2-amine
CID 71236675
N-(9-azidononyl)pyrimidin-2-amine
CID 71236787
2-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine;dihydrochloride
CID 56843687
3-(pyrimidin-2-ylamino)propanenitrile
CID 131130388
N-(3,3-difluoropropyl)pyrimidin-2-amine
CID 131114276
2-pyridin-2-ylethanamine;2-(2-pyridin-2-ylethyl)guanidine
CID 161239172

Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyrimidin-2-ylamino)ethyl]guanidine?
The IUPAC name of 2-[2-(pyrimidin-2-ylamino)ethyl]guanidine (CID 130723153) is 2-[2-(pyrimidin-2-ylamino)ethyl]guanidine.
What is the SMILES notation for 2-[2-(pyrimidin-2-ylamino)ethyl]guanidine?
The canonical SMILES for 2-[2-(pyrimidin-2-ylamino)ethyl]guanidine is NC(N)=NCCNc1ncccn1.
What is the InChIKey of 2-[2-(pyrimidin-2-ylamino)ethyl]guanidine?
The InChIKey is KNEIYODCBFCSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6/c8-6(9)10-4-5-13-7-11-2-1-3-12-7/h1-3H,4-5H2,(H4,8,9,10)(H,11,12,13).
What are the key properties of 2-[2-(pyrimidin-2-ylamino)ethyl]guanidine?
2-[2-(pyrimidin-2-ylamino)ethyl]guanidine has a molecular weight of 180.22 g/mol, XLogP of -0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyrimidin-2-ylamino)ethyl]guanidine is sourced from PubChem (CID 130723153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).