6-(1,8-naphthyridin-2-yl)-N-(trifluoromethyl)pyrimidin-4-amine

C13H8F3N5 — CID 174524150

IUPAC6-(1,8-naphthyridin-2-yl)-N-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)Nc1cc(-c2ccc3cccnc3n2)ncn1
InChIInChI=1S/C13H8F3N5/c14-13(15,16)21-11-6-10(18-7-19-11)9-4-3-8-2-1-5-17-12(8)20-9/h1-7H,(H,18,19,21)
InChIKeyLXYKBQMJEVRLAC-UHFFFAOYSA-N
MW291.24 g/mol
LogP3.02
Rot. Bonds2

About 6-(1,8-naphthyridin-2-yl)-N-(trifluoromethyl)pyrimidin-4-amine

6-(1,8-naphthyridin-2-yl)-N-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 174524150) has the molecular formula C13H8F3N5 and a molecular weight of 291.24 g/mol. Its IUPAC name is 6-(1,8-naphthyridin-2-yl)-N-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,8-naphthyridin-2-yl)-N-(trifluoromethyl)pyrimidin-4-amine
PubChem CID174524150
Molecular FormulaC13H8F3N5
Molecular Weight291.24 g/mol
Exact Mass291.07
IUPAC Name6-(1,8-naphthyridin-2-yl)-N-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)Nc1cc(-c2ccc3cccnc3n2)ncn1
InChIInChI=1S/C13H8F3N5/c14-13(15,16)21-11-6-10(18-7-19-11)9-4-3-8-2-1-5-17-12(8)20-9/h1-7H,(H,18,19,21)
InChIKeyLXYKBQMJEVRLAC-UHFFFAOYSA-N
XLogP3.02
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1,8-naphthyridin-2-yl)-N-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(1,8-naphthyridin-2-yl)-N-(trifluoromethyl)pyrimidin-4-amine (CID 174524150) is 6-(1,8-naphthyridin-2-yl)-N-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(1,8-naphthyridin-2-yl)-N-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(1,8-naphthyridin-2-yl)-N-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)Nc1cc(-c2ccc3cccnc3n2)ncn1.
What is the InChIKey of 6-(1,8-naphthyridin-2-yl)-N-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is LXYKBQMJEVRLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N5/c14-13(15,16)21-11-6-10(18-7-19-11)9-4-3-8-2-1-5-17-12(8)20-9/h1-7H,(H,18,19,21).
What are the key properties of 6-(1,8-naphthyridin-2-yl)-N-(trifluoromethyl)pyrimidin-4-amine?
6-(1,8-naphthyridin-2-yl)-N-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 291.24 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,8-naphthyridin-2-yl)-N-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 174524150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).