pyrimidine-4,5-diamine;hydrochloride

C4H7ClN4 — CID 20562705

IUPACpyrimidine-4,5-diamine;hydrochloride
SMILESCl.Nc1cncnc1N
InChIInChI=1S/C4H6N4.ClH/c5-3-1-7-2-8-4(3)6;/h1-2H,5H2,(H2,6,7,8);1H
InChIKeyHXBNENHPZIJFTQ-UHFFFAOYSA-N
MW146.58 g/mol
LogP0.06
Rot. Bonds

About pyrimidine-4,5-diamine;hydrochloride

pyrimidine-4,5-diamine;hydrochloride (PubChem CID 20562705) has the molecular formula C4H7ClN4 and a molecular weight of 146.58 g/mol. Its IUPAC name is pyrimidine-4,5-diamine;hydrochloride.

Molecular Properties

Compound Namepyrimidine-4,5-diamine;hydrochloride
PubChem CID20562705
Molecular FormulaC4H7ClN4
Molecular Weight146.58 g/mol
Exact Mass146.04
IUPAC Namepyrimidine-4,5-diamine;hydrochloride
SMILESCl.Nc1cncnc1N
InChIInChI=1S/C4H6N4.ClH/c5-3-1-7-2-8-4(3)6;/h1-2H,5H2,(H2,6,7,8);1H
InChIKeyHXBNENHPZIJFTQ-UHFFFAOYSA-N
XLogP0.06
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.58
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze pyrimidine-4,5-diamine;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-Diaminopyrimidine
CID 67431
Pyrimidin-5-amine
CID 344373
Pyrimidine-2,4,5-triamine
CID 148506
7H-Purin-8-ol
CID 229771
4-Aminopyrimidine
CID 68958
4,5-Diaminopyrimidine
CID 83703
2-Chloropyrimidine-4,5-diamine
CID 84565
Pyrimidine-2,5-diamine
CID 229075
2-Chloro-5-nitropyrimidin-4-amine
CID 74716
2-Chloro-4-aminopyrimidine
CID 345752
7H-Purine-8-thiol
CID 4265275
5,6,7,8-Tetrahydropteridine
CID 156

Frequently Asked Questions

What is the IUPAC name of pyrimidine-4,5-diamine;hydrochloride?
The IUPAC name of pyrimidine-4,5-diamine;hydrochloride (CID 20562705) is pyrimidine-4,5-diamine;hydrochloride.
What is the SMILES notation for pyrimidine-4,5-diamine;hydrochloride?
The canonical SMILES for pyrimidine-4,5-diamine;hydrochloride is Cl.Nc1cncnc1N.
What is the InChIKey of pyrimidine-4,5-diamine;hydrochloride?
The InChIKey is HXBNENHPZIJFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4.ClH/c5-3-1-7-2-8-4(3)6;/h1-2H,5H2,(H2,6,7,8);1H.
What are the key properties of pyrimidine-4,5-diamine;hydrochloride?
pyrimidine-4,5-diamine;hydrochloride has a molecular weight of 146.58 g/mol, XLogP of 0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidine-4,5-diamine;hydrochloride is sourced from PubChem (CID 20562705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).