2-(4,6-diaminopyrimidin-2-yl)guanidine;hydrochloride

C5H10ClN7 — CID 12789424

IUPAC2-(4,6-diaminopyrimidin-2-yl)guanidine;hydrochloride
SMILESCl.NC(N)=Nc1nc(N)cc(N)n1
InChIInChI=1S/C5H9N7.ClH/c6-2-1-3(7)11-5(10-2)12-4(8)9;/h1H,(H8,6,7,8,9,10,11,12);1H
InChIKeyOCZRCGDMXKCWOA-UHFFFAOYSA-N
MW203.64 g/mol
LogP-1.03
Rot. Bonds1

About 2-(4,6-diaminopyrimidin-2-yl)guanidine;hydrochloride

2-(4,6-diaminopyrimidin-2-yl)guanidine;hydrochloride (PubChem CID 12789424) has the molecular formula C5H10ClN7 and a molecular weight of 203.64 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)guanidine;hydrochloride
PubChem CID12789424
Molecular FormulaC5H10ClN7
Molecular Weight203.64 g/mol
Exact Mass203.07
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)guanidine;hydrochloride
SMILESCl.NC(N)=Nc1nc(N)cc(N)n1
InChIInChI=1S/C5H9N7.ClH/c6-2-1-3(7)11-5(10-2)12-4(8)9;/h1H,(H8,6,7,8,9,10,11,12);1H
InChIKeyOCZRCGDMXKCWOA-UHFFFAOYSA-N
XLogP-1.03
TPSA142.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4,6-diaminopyrimidin-2-yl)guanidine;hydrochloride 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

2,4,6-Triaminopyrimidine
CID 13863
4-Pyrimidinamine, 2,6-dichloro-
CID 82387
2,4-Diamino-6-chloropyrimidine
CID 67432
2,4-Diamino-6-piperidinopyrimidine
CID 606255
Pyrimidine-4,6-diamine
CID 79608
2-Methylthiopyrimidine-4,6-diamine
CID 70497
6-Chloro-2-methylpyrimidin-4-amine
CID 286754
4,6-Pyrimidinediamine, monohydrochloride
CID 79607
(4,6-Diaminopyrimidin-2-yl)methanethiol
CID 237409
2,6-difluoro-N-methylpyrimidin-4-amine
CID 3941302
4-N,4-N,6-N-trimethylpyrimidine-2,4,6-triamine
CID 79006691
4-N-methylpyrimidine-4,6-diamine
CID 414677

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)guanidine;hydrochloride?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)guanidine;hydrochloride (CID 12789424) is 2-(4,6-diaminopyrimidin-2-yl)guanidine;hydrochloride.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)guanidine;hydrochloride?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)guanidine;hydrochloride is Cl.NC(N)=Nc1nc(N)cc(N)n1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)guanidine;hydrochloride?
The InChIKey is OCZRCGDMXKCWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N7.ClH/c6-2-1-3(7)11-5(10-2)12-4(8)9;/h1H,(H8,6,7,8,9,10,11,12);1H.
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)guanidine;hydrochloride?
2-(4,6-diaminopyrimidin-2-yl)guanidine;hydrochloride has a molecular weight of 203.64 g/mol, XLogP of -1.03, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-2-yl)guanidine;hydrochloride is sourced from PubChem (CID 12789424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).