N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]quinolin-3-amine

C14H8ClF3N4 — CID 175858931

IUPACN-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]quinolin-3-amine
SMILESFC(F)(F)c1cnc(Cl)nc1Nc1cnc2ccccc2c1
InChIInChI=1S/C14H8ClF3N4/c15-13-20-7-10(14(16,17)18)12(22-13)21-9-5-8-3-1-2-4-11(8)19-6-9/h1-7H,(H,20,21,22)
InChIKeyJKTCBXPHTQHVCE-UHFFFAOYSA-N
MW324.69 g/mol
LogP4.44
Rot. Bonds2

About N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]quinolin-3-amine

N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]quinolin-3-amine (PubChem CID 175858931) has the molecular formula C14H8ClF3N4 and a molecular weight of 324.69 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]quinolin-3-amine.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]quinolin-3-amine
PubChem CID175858931
Molecular FormulaC14H8ClF3N4
Molecular Weight324.69 g/mol
Exact Mass324.04
IUPAC NameN-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]quinolin-3-amine
SMILESFC(F)(F)c1cnc(Cl)nc1Nc1cnc2ccccc2c1
InChIInChI=1S/C14H8ClF3N4/c15-13-20-7-10(14(16,17)18)12(22-13)21-9-5-8-3-1-2-4-11(8)19-6-9/h1-7H,(H,20,21,22)
InChIKeyJKTCBXPHTQHVCE-UHFFFAOYSA-N
XLogP4.44
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.69
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]quinolin-3-amine?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]quinolin-3-amine (CID 175858931) is N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]quinolin-3-amine.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]quinolin-3-amine?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]quinolin-3-amine is FC(F)(F)c1cnc(Cl)nc1Nc1cnc2ccccc2c1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]quinolin-3-amine?
The InChIKey is JKTCBXPHTQHVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N4/c15-13-20-7-10(14(16,17)18)12(22-13)21-9-5-8-3-1-2-4-11(8)19-6-9/h1-7H,(H,20,21,22).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]quinolin-3-amine?
N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]quinolin-3-amine has a molecular weight of 324.69 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]quinolin-3-amine is sourced from PubChem (CID 175858931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).