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

C12H12ClFN4 — CID 116974151

IUPACN'-[5-(5-chloro-2-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine
SMILESNCCNc1ncc(-c2cc(Cl)ccc2F)cn1
InChIInChI=1S/C12H12ClFN4/c13-9-1-2-11(14)10(5-9)8-6-17-12(18-7-8)16-4-3-15/h1-2,5-7H,3-4,15H2,(H,16,17,18)
InChIKeyYULQZPZZOIWJPJ-UHFFFAOYSA-N
MW266.71 g/mol
LogP2.31
Rot. Bonds4

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

N'-[5-(5-chloro-2-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine (PubChem CID 116974151) has the molecular formula C12H12ClFN4 and a molecular weight of 266.71 g/mol. Its IUPAC name is N'-[5-(5-chloro-2-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-(5-chloro-2-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine
PubChem CID116974151
Molecular FormulaC12H12ClFN4
Molecular Weight266.71 g/mol
Exact Mass266.07
IUPAC NameN'-[5-(5-chloro-2-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine
SMILESNCCNc1ncc(-c2cc(Cl)ccc2F)cn1
InChIInChI=1S/C12H12ClFN4/c13-9-1-2-11(14)10(5-9)8-6-17-12(18-7-8)16-4-3-15/h1-2,5-7H,3-4,15H2,(H,16,17,18)
InChIKeyYULQZPZZOIWJPJ-UHFFFAOYSA-N
XLogP2.31
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[5-(5-chloro-2-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-[5-(5-chloro-2-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine (CID 116974151) is N'-[5-(5-chloro-2-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[5-(5-chloro-2-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[5-(5-chloro-2-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine is NCCNc1ncc(-c2cc(Cl)ccc2F)cn1.
What is the InChIKey of N'-[5-(5-chloro-2-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine?
The InChIKey is YULQZPZZOIWJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4/c13-9-1-2-11(14)10(5-9)8-6-17-12(18-7-8)16-4-3-15/h1-2,5-7H,3-4,15H2,(H,16,17,18).
What are the key properties of N'-[5-(5-chloro-2-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine?
N'-[5-(5-chloro-2-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine has a molecular weight of 266.71 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(5-chloro-2-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 116974151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).