N'-[5-(3-fluorophenoxy)pyrimidin-2-yl]ethane-1,2-diamine

C12H13FN4O — CID 117224521

IUPACN'-[5-(3-fluorophenoxy)pyrimidin-2-yl]ethane-1,2-diamine
SMILESNCCNc1ncc(Oc2cccc(F)c2)cn1
InChIInChI=1S/C12H13FN4O/c13-9-2-1-3-10(6-9)18-11-7-16-12(17-8-11)15-5-4-14/h1-3,6-8H,4-5,14H2,(H,15,16,17)
InChIKeyRDRGFBBUJMZLAZ-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.78
Rot. Bonds5

About N'-[5-(3-fluorophenoxy)pyrimidin-2-yl]ethane-1,2-diamine

N'-[5-(3-fluorophenoxy)pyrimidin-2-yl]ethane-1,2-diamine (PubChem CID 117224521) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is N'-[5-(3-fluorophenoxy)pyrimidin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-(3-fluorophenoxy)pyrimidin-2-yl]ethane-1,2-diamine
PubChem CID117224521
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC NameN'-[5-(3-fluorophenoxy)pyrimidin-2-yl]ethane-1,2-diamine
SMILESNCCNc1ncc(Oc2cccc(F)c2)cn1
InChIInChI=1S/C12H13FN4O/c13-9-2-1-3-10(6-9)18-11-7-16-12(17-8-11)15-5-4-14/h1-3,6-8H,4-5,14H2,(H,15,16,17)
InChIKeyRDRGFBBUJMZLAZ-UHFFFAOYSA-N
XLogP1.78
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-fluorophenyl)ethyl]-5-methoxypyrimidin-2-amine
CID 114600378
N'-[5-(5-chloro-2-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 116974151
N-[2-(3-aminophenoxy)ethyl]-5-fluoropyrimidin-2-amine
CID 113432130
[3-(3-fluorophenoxy)phenyl]methanamine hydroxide
CID 86649819
N'-[5-(4-methylphenoxy)pyrimidin-2-yl]propane-1,3-diamine
CID 117224560
1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene
CID 22338391
1-fluoro-3-(3-iodophenoxy)benzene
CID 118960389
5-fluoro-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine
CID 113286019
3-[2-(2-aminoethyl)pyrimidin-5-yl]oxyphenol
CID 115038185
4-(3-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80869841
6-(3-fluorophenoxy)pyridin-3-amine
CID 16789868
5-chloro-2-(3-fluorophenoxy)pyridine
CID 66233204

Frequently Asked Questions

What is the IUPAC name of N'-[5-(3-fluorophenoxy)pyrimidin-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-[5-(3-fluorophenoxy)pyrimidin-2-yl]ethane-1,2-diamine (CID 117224521) is N'-[5-(3-fluorophenoxy)pyrimidin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[5-(3-fluorophenoxy)pyrimidin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[5-(3-fluorophenoxy)pyrimidin-2-yl]ethane-1,2-diamine is NCCNc1ncc(Oc2cccc(F)c2)cn1.
What is the InChIKey of N'-[5-(3-fluorophenoxy)pyrimidin-2-yl]ethane-1,2-diamine?
The InChIKey is RDRGFBBUJMZLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c13-9-2-1-3-10(6-9)18-11-7-16-12(17-8-11)15-5-4-14/h1-3,6-8H,4-5,14H2,(H,15,16,17).
What are the key properties of N'-[5-(3-fluorophenoxy)pyrimidin-2-yl]ethane-1,2-diamine?
N'-[5-(3-fluorophenoxy)pyrimidin-2-yl]ethane-1,2-diamine has a molecular weight of 248.26 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(3-fluorophenoxy)pyrimidin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 117224521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).