2-chloro-N-[2-(4-chlorophenyl)ethyl]-5-fluoropyrimidin-4-amine

C12H10Cl2FN3 — CID 79081252

IUPAC2-chloro-N-[2-(4-chlorophenyl)ethyl]-5-fluoropyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NCCc1ccc(Cl)cc1
InChIInChI=1S/C12H10Cl2FN3/c13-9-3-1-8(2-4-9)5-6-16-11-10(15)7-17-12(14)18-11/h1-4,7H,5-6H2,(H,16,17,18)
InChIKeyQWKIGLBDTFVOND-UHFFFAOYSA-N
MW286.14 g/mol
LogP3.58
Rot. Bonds4

About 2-chloro-N-[2-(4-chlorophenyl)ethyl]-5-fluoropyrimidin-4-amine

2-chloro-N-[2-(4-chlorophenyl)ethyl]-5-fluoropyrimidin-4-amine (PubChem CID 79081252) has the molecular formula C12H10Cl2FN3 and a molecular weight of 286.14 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-chlorophenyl)ethyl]-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(4-chlorophenyl)ethyl]-5-fluoropyrimidin-4-amine
PubChem CID79081252
Molecular FormulaC12H10Cl2FN3
Molecular Weight286.14 g/mol
Exact Mass285.02
IUPAC Name2-chloro-N-[2-(4-chlorophenyl)ethyl]-5-fluoropyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NCCc1ccc(Cl)cc1
InChIInChI=1S/C12H10Cl2FN3/c13-9-3-1-8(2-4-9)5-6-16-11-10(15)7-17-12(14)18-11/h1-4,7H,5-6H2,(H,16,17,18)
InChIKeyQWKIGLBDTFVOND-UHFFFAOYSA-N
XLogP3.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-chlorophenyl)ethyl]-5-fluoropyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[2-(4-chlorophenyl)ethyl]-5-fluoropyrimidin-4-amine (CID 79081252) is 2-chloro-N-[2-(4-chlorophenyl)ethyl]-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[2-(4-chlorophenyl)ethyl]-5-fluoropyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[2-(4-chlorophenyl)ethyl]-5-fluoropyrimidin-4-amine is Fc1cnc(Cl)nc1NCCc1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-N-[2-(4-chlorophenyl)ethyl]-5-fluoropyrimidin-4-amine?
The InChIKey is QWKIGLBDTFVOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2FN3/c13-9-3-1-8(2-4-9)5-6-16-11-10(15)7-17-12(14)18-11/h1-4,7H,5-6H2,(H,16,17,18).
What are the key properties of 2-chloro-N-[2-(4-chlorophenyl)ethyl]-5-fluoropyrimidin-4-amine?
2-chloro-N-[2-(4-chlorophenyl)ethyl]-5-fluoropyrimidin-4-amine has a molecular weight of 286.14 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-chlorophenyl)ethyl]-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 79081252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).