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

C12H13FN4O — CID 117224528

IUPACN'-[5-(2-fluorophenoxy)pyrimidin-2-yl]ethane-1,2-diamine
SMILESNCCNc1ncc(Oc2ccccc2F)cn1
InChIInChI=1S/C12H13FN4O/c13-10-3-1-2-4-11(10)18-9-7-16-12(17-8-9)15-6-5-14/h1-4,7-8H,5-6,14H2,(H,15,16,17)
InChIKeyFZAIESCVEUVSQN-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.78
Rot. Bonds5

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

N'-[5-(2-fluorophenoxy)pyrimidin-2-yl]ethane-1,2-diamine (PubChem CID 117224528) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is N'-[5-(2-fluorophenoxy)pyrimidin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-(2-fluorophenoxy)pyrimidin-2-yl]ethane-1,2-diamine
PubChem CID117224528
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC NameN'-[5-(2-fluorophenoxy)pyrimidin-2-yl]ethane-1,2-diamine
SMILESNCCNc1ncc(Oc2ccccc2F)cn1
InChIInChI=1S/C12H13FN4O/c13-10-3-1-2-4-11(10)18-9-7-16-12(17-8-9)15-6-5-14/h1-4,7-8H,5-6,14H2,(H,15,16,17)
InChIKeyFZAIESCVEUVSQN-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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Frequently Asked Questions

What is the IUPAC name of N'-[5-(2-fluorophenoxy)pyrimidin-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-[5-(2-fluorophenoxy)pyrimidin-2-yl]ethane-1,2-diamine (CID 117224528) is N'-[5-(2-fluorophenoxy)pyrimidin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[5-(2-fluorophenoxy)pyrimidin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[5-(2-fluorophenoxy)pyrimidin-2-yl]ethane-1,2-diamine is NCCNc1ncc(Oc2ccccc2F)cn1.
What is the InChIKey of N'-[5-(2-fluorophenoxy)pyrimidin-2-yl]ethane-1,2-diamine?
The InChIKey is FZAIESCVEUVSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c13-10-3-1-2-4-11(10)18-9-7-16-12(17-8-9)15-6-5-14/h1-4,7-8H,5-6,14H2,(H,15,16,17).
What are the key properties of N'-[5-(2-fluorophenoxy)pyrimidin-2-yl]ethane-1,2-diamine?
N'-[5-(2-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-(2-fluorophenoxy)pyrimidin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 117224528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).