6-chloro-N-[2-(5,7-difluoroquinolin-6-yl)ethyl]pyrimidin-4-amine

C15H11ClF2N4 — CID 135381983

IUPAC6-chloro-N-[2-(5,7-difluoroquinolin-6-yl)ethyl]pyrimidin-4-amine
SMILESFc1cc2ncccc2c(F)c1CCNc1cc(Cl)ncn1
InChIInChI=1S/C15H11ClF2N4/c16-13-7-14(22-8-21-13)20-5-3-9-11(17)6-12-10(15(9)18)2-1-4-19-12/h1-2,4,6-8H,3,5H2,(H,20,21,22)
InChIKeyVQIPJJZDRJHJEV-UHFFFAOYSA-N
MW320.73 g/mol
LogP3.61
Rot. Bonds4

About 6-chloro-N-[2-(5,7-difluoroquinolin-6-yl)ethyl]pyrimidin-4-amine

6-chloro-N-[2-(5,7-difluoroquinolin-6-yl)ethyl]pyrimidin-4-amine (PubChem CID 135381983) has the molecular formula C15H11ClF2N4 and a molecular weight of 320.73 g/mol. Its IUPAC name is 6-chloro-N-[2-(5,7-difluoroquinolin-6-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(5,7-difluoroquinolin-6-yl)ethyl]pyrimidin-4-amine
PubChem CID135381983
Molecular FormulaC15H11ClF2N4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC Name6-chloro-N-[2-(5,7-difluoroquinolin-6-yl)ethyl]pyrimidin-4-amine
SMILESFc1cc2ncccc2c(F)c1CCNc1cc(Cl)ncn1
InChIInChI=1S/C15H11ClF2N4/c16-13-7-14(22-8-21-13)20-5-3-9-11(17)6-12-10(15(9)18)2-1-4-19-12/h1-2,4,6-8H,3,5H2,(H,20,21,22)
InChIKeyVQIPJJZDRJHJEV-UHFFFAOYSA-N
XLogP3.61
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(5,7-difluoroquinolin-6-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-(5,7-difluoroquinolin-6-yl)ethyl]pyrimidin-4-amine (CID 135381983) is 6-chloro-N-[2-(5,7-difluoroquinolin-6-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(5,7-difluoroquinolin-6-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(5,7-difluoroquinolin-6-yl)ethyl]pyrimidin-4-amine is Fc1cc2ncccc2c(F)c1CCNc1cc(Cl)ncn1.
What is the InChIKey of 6-chloro-N-[2-(5,7-difluoroquinolin-6-yl)ethyl]pyrimidin-4-amine?
The InChIKey is VQIPJJZDRJHJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N4/c16-13-7-14(22-8-21-13)20-5-3-9-11(17)6-12-10(15(9)18)2-1-4-19-12/h1-2,4,6-8H,3,5H2,(H,20,21,22).
What are the key properties of 6-chloro-N-[2-(5,7-difluoroquinolin-6-yl)ethyl]pyrimidin-4-amine?
6-chloro-N-[2-(5,7-difluoroquinolin-6-yl)ethyl]pyrimidin-4-amine has a molecular weight of 320.73 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(5,7-difluoroquinolin-6-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 135381983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).