N-benzyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine

C16H12F3N3O — CID 3242070

IUPACN-benzyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(-c2ccco2)nc(NCc2ccccc2)n1
InChIInChI=1S/C16H12F3N3O/c17-16(18,19)14-9-12(13-7-4-8-23-13)21-15(22-14)20-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,20,21,22)
InChIKeySBLXKBJVWSEVQF-UHFFFAOYSA-N
MW319.29 g/mol
LogP4.37
Rot. Bonds4

About N-benzyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine

N-benzyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 3242070) has the molecular formula C16H12F3N3O and a molecular weight of 319.29 g/mol. Its IUPAC name is N-benzyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID3242070
Molecular FormulaC16H12F3N3O
Molecular Weight319.29 g/mol
Exact Mass319.09
IUPAC NameN-benzyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(-c2ccco2)nc(NCc2ccccc2)n1
InChIInChI=1S/C16H12F3N3O/c17-16(18,19)14-9-12(13-7-4-8-23-13)21-15(22-14)20-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,20,21,22)
InChIKeySBLXKBJVWSEVQF-UHFFFAOYSA-N
XLogP4.37
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-benzyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 3242070) is N-benzyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-benzyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-benzyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1cc(-c2ccco2)nc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is SBLXKBJVWSEVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O/c17-16(18,19)14-9-12(13-7-4-8-23-13)21-15(22-14)20-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,20,21,22).
What are the key properties of N-benzyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
N-benzyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 319.29 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 3242070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).