5-fluoro-6-(8-methylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine

C20H13F4N5 — CID 11315523

IUPAC5-fluoro-6-(8-methylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESCc1c(-c2ncnc(Nc3ccc(C(F)(F)F)cn3)c2F)ccc2cccnc12
InChIInChI=1S/C20H13F4N5/c1-11-14(6-4-12-3-2-8-25-17(11)12)18-16(21)19(28-10-27-18)29-15-7-5-13(9-26-15)20(22,23)24/h2-10H,1H3,(H,26,27,28,29)
InChIKeyGVOCWZWVKPODNC-UHFFFAOYSA-N
MW399.35 g/mol
LogP5.30
Rot. Bonds3

About 5-fluoro-6-(8-methylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine

5-fluoro-6-(8-methylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (PubChem CID 11315523) has the molecular formula C20H13F4N5 and a molecular weight of 399.35 g/mol. Its IUPAC name is 5-fluoro-6-(8-methylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-(8-methylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
PubChem CID11315523
Molecular FormulaC20H13F4N5
Molecular Weight399.35 g/mol
Exact Mass399.11
IUPAC Name5-fluoro-6-(8-methylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESCc1c(-c2ncnc(Nc3ccc(C(F)(F)F)cn3)c2F)ccc2cccnc12
InChIInChI=1S/C20H13F4N5/c1-11-14(6-4-12-3-2-8-25-17(11)12)18-16(21)19(28-10-27-18)29-15-7-5-13(9-26-15)20(22,23)24/h2-10H,1H3,(H,26,27,28,29)
InChIKeyGVOCWZWVKPODNC-UHFFFAOYSA-N
XLogP5.30
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.35
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(8-methylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-(8-methylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (CID 11315523) is 5-fluoro-6-(8-methylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-(8-methylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-(8-methylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is Cc1c(-c2ncnc(Nc3ccc(C(F)(F)F)cn3)c2F)ccc2cccnc12.
What is the InChIKey of 5-fluoro-6-(8-methylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is GVOCWZWVKPODNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N5/c1-11-14(6-4-12-3-2-8-25-17(11)12)18-16(21)19(28-10-27-18)29-15-7-5-13(9-26-15)20(22,23)24/h2-10H,1H3,(H,26,27,28,29).
What are the key properties of 5-fluoro-6-(8-methylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
5-fluoro-6-(8-methylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 399.35 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(8-methylquinolin-7-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 11315523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).