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

C10H17FN4 — CID 104606633

IUPACN,N'-diethyl-N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine
SMILESCCNCCN(CC)c1ncc(F)cn1
InChIInChI=1S/C10H17FN4/c1-3-12-5-6-15(4-2)10-13-7-9(11)8-14-10/h7-8,12H,3-6H2,1-2H3
InChIKeyWTDCJQZPZPTSQK-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.05
Rot. Bonds6

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

N,N'-diethyl-N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine (PubChem CID 104606633) has the molecular formula C10H17FN4 and a molecular weight of 212.27 g/mol. Its IUPAC name is N,N'-diethyl-N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-diethyl-N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine
PubChem CID104606633
Molecular FormulaC10H17FN4
Molecular Weight212.27 g/mol
Exact Mass212.14
IUPAC NameN,N'-diethyl-N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine
SMILESCCNCCN(CC)c1ncc(F)cn1
InChIInChI=1S/C10H17FN4/c1-3-12-5-6-15(4-2)10-13-7-9(11)8-14-10/h7-8,12H,3-6H2,1-2H3
InChIKeyWTDCJQZPZPTSQK-UHFFFAOYSA-N
XLogP1.05
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-ethoxypyrimidin-2-yl)-N,N'-diethylethane-1,2-diamine
CID 112639133
N,N'-diethyl-N'-(3-methylpyrazin-2-yl)ethane-1,2-diamine
CID 83064976
N,N'-diethyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine
CID 112639135
N-[(2-aminophenyl)methyl]-N-ethyl-5-fluoropyrimidin-2-amine
CID 113432149
N-[2-(N-ethyl-4-fluoroanilino)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62554048
N'-(3-bromo-4-pyridinyl)-N,N'-diethylethane-1,2-diamine
CID 104779301
N'-ethyl-N'-[5-(ethylaminomethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpropane-1,3-diamine
CID 102997398
N'-(5-chloro-2-methoxypyrimidin-4-yl)-N,N'-diethylethane-1,2-diamine
CID 80753181
N'-(5-fluoropyrimidin-2-yl)-N,N'-dimethylpropane-1,3-diamine
CID 104606129
N',N'-diethyl-N-[(5-fluoro-2-pyridinyl)methyl]ethane-1,2-diamine
CID 104638488
5-(bromomethyl)-N-ethyl-N-propylpyrimidin-2-amine
CID 107079952
5-bromo-N-butyl-N-ethylpyrimidin-2-amine
CID 63874564

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-diethyl-N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine (CID 104606633) is N,N'-diethyl-N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-diethyl-N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-diethyl-N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine is CCNCCN(CC)c1ncc(F)cn1.
What is the InChIKey of N,N'-diethyl-N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is WTDCJQZPZPTSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4/c1-3-12-5-6-15(4-2)10-13-7-9(11)8-14-10/h7-8,12H,3-6H2,1-2H3.
What are the key properties of N,N'-diethyl-N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine?
N,N'-diethyl-N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine has a molecular weight of 212.27 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 104606633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).