4-quinolin-7-yl-6-(trifluoromethyl)pyrimidin-2-amine

C14H9F3N4 — CID 114563437

IUPAC4-quinolin-7-yl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1nc(-c2ccc3cccnc3c2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H9F3N4/c15-14(16,17)12-7-11(20-13(18)21-12)9-4-3-8-2-1-5-19-10(8)6-9/h1-7H,(H2,18,20,21)
InChIKeyKZMPIGZBABRCML-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.29
Rot. Bonds1

About 4-quinolin-7-yl-6-(trifluoromethyl)pyrimidin-2-amine

4-quinolin-7-yl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114563437) has the molecular formula C14H9F3N4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 4-quinolin-7-yl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-quinolin-7-yl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114563437
Molecular FormulaC14H9F3N4
Molecular Weight290.25 g/mol
Exact Mass290.08
IUPAC Name4-quinolin-7-yl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1nc(-c2ccc3cccnc3c2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H9F3N4/c15-14(16,17)12-7-11(20-13(18)21-12)9-4-3-8-2-1-5-19-10(8)6-9/h1-7H,(H2,18,20,21)
InChIKeyKZMPIGZBABRCML-UHFFFAOYSA-N
XLogP3.29
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-quinolin-7-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-quinolin-7-yl-6-(trifluoromethyl)pyrimidin-2-amine (CID 114563437) is 4-quinolin-7-yl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-quinolin-7-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-quinolin-7-yl-6-(trifluoromethyl)pyrimidin-2-amine is Nc1nc(-c2ccc3cccnc3c2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-quinolin-7-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is KZMPIGZBABRCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4/c15-14(16,17)12-7-11(20-13(18)21-12)9-4-3-8-2-1-5-19-10(8)6-9/h1-7H,(H2,18,20,21).
What are the key properties of 4-quinolin-7-yl-6-(trifluoromethyl)pyrimidin-2-amine?
4-quinolin-7-yl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 290.25 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinolin-7-yl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114563437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).