N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride

C6H11Cl2FN4 — CID 121209027

IUPACN'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.NCCNc1ncc(F)cn1
InChIInChI=1S/C6H9FN4.2ClH/c7-5-3-10-6(11-4-5)9-2-1-8;;/h3-4H,1-2,8H2,(H,9,10,11);2*1H
InChIKeyFZMSEVVZXIJTFV-UHFFFAOYSA-N
MW229.09 g/mol
LogP0.83
Rot. Bonds3

About N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride

N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride (PubChem CID 121209027) has the molecular formula C6H11Cl2FN4 and a molecular weight of 229.09 g/mol. Its IUPAC name is N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride
PubChem CID121209027
Molecular FormulaC6H11Cl2FN4
Molecular Weight229.09 g/mol
Exact Mass228.03
IUPAC NameN'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.NCCNc1ncc(F)cn1
InChIInChI=1S/C6H9FN4.2ClH/c7-5-3-10-6(11-4-5)9-2-1-8;;/h3-4H,1-2,8H2,(H,9,10,11);2*1H
InChIKeyFZMSEVVZXIJTFV-UHFFFAOYSA-N
XLogP0.83
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.09
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride 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 N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride?
The IUPAC name of N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride (CID 121209027) is N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride is Cl.Cl.NCCNc1ncc(F)cn1.
What is the InChIKey of N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride?
The InChIKey is FZMSEVVZXIJTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN4.2ClH/c7-5-3-10-6(11-4-5)9-2-1-8;;/h3-4H,1-2,8H2,(H,9,10,11);2*1H.
What are the key properties of N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride?
N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride has a molecular weight of 229.09 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 121209027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).