N'-(5-chloro-6-fluoropyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine

C8H12ClFN4 — CID 54427498

IUPACN'-(5-chloro-6-fluoropyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1ncnc(F)c1Cl
InChIInChI=1S/C8H12ClFN4/c1-11-3-4-14(2)8-6(9)7(10)12-5-13-8/h5,11H,3-4H2,1-2H3
InChIKeyWFDLLGQWIGGASV-UHFFFAOYSA-N
MW218.66 g/mol
LogP0.92
Rot. Bonds4

About N'-(5-chloro-6-fluoropyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine

N'-(5-chloro-6-fluoropyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 54427498) has the molecular formula C8H12ClFN4 and a molecular weight of 218.66 g/mol. Its IUPAC name is N'-(5-chloro-6-fluoropyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-chloro-6-fluoropyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine
PubChem CID54427498
Molecular FormulaC8H12ClFN4
Molecular Weight218.66 g/mol
Exact Mass218.07
IUPAC NameN'-(5-chloro-6-fluoropyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1ncnc(F)c1Cl
InChIInChI=1S/C8H12ClFN4/c1-11-3-4-14(2)8-6(9)7(10)12-5-13-8/h5,11H,3-4H2,1-2H3
InChIKeyWFDLLGQWIGGASV-UHFFFAOYSA-N
XLogP0.92
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.66
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-6-fluoropyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-(5-chloro-6-fluoropyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine (CID 54427498) is N'-(5-chloro-6-fluoropyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(5-chloro-6-fluoropyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(5-chloro-6-fluoropyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine is CNCCN(C)c1ncnc(F)c1Cl.
What is the InChIKey of N'-(5-chloro-6-fluoropyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is WFDLLGQWIGGASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClFN4/c1-11-3-4-14(2)8-6(9)7(10)12-5-13-8/h5,11H,3-4H2,1-2H3.
What are the key properties of N'-(5-chloro-6-fluoropyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine?
N'-(5-chloro-6-fluoropyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 218.66 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-6-fluoropyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 54427498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).