N-[(4-fluorophenyl)methyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine

C16H11F4N3O — CID 3240864

IUPACN-[(4-fluorophenyl)methyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFc1ccc(CNc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1
InChIInChI=1S/C16H11F4N3O/c17-11-5-3-10(4-6-11)9-21-15-22-12(13-2-1-7-24-13)8-14(23-15)16(18,19)20/h1-8H,9H2,(H,21,22,23)
InChIKeyRDWZVFIIQHIFNP-UHFFFAOYSA-N
MW337.28 g/mol
LogP4.51
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine

N-[(4-fluorophenyl)methyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 3240864) has the molecular formula C16H11F4N3O and a molecular weight of 337.28 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID3240864
Molecular FormulaC16H11F4N3O
Molecular Weight337.28 g/mol
Exact Mass337.08
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFc1ccc(CNc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1
InChIInChI=1S/C16H11F4N3O/c17-11-5-3-10(4-6-11)9-21-15-22-12(13-2-1-7-24-13)8-14(23-15)16(18,19)20/h1-8H,9H2,(H,21,22,23)
InChIKeyRDWZVFIIQHIFNP-UHFFFAOYSA-N
XLogP4.51
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.28
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 3240864) is N-[(4-fluorophenyl)methyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine is Fc1ccc(CNc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is RDWZVFIIQHIFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N3O/c17-11-5-3-10(4-6-11)9-21-15-22-12(13-2-1-7-24-13)8-14(23-15)16(18,19)20/h1-8H,9H2,(H,21,22,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
N-[(4-fluorophenyl)methyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 337.28 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 3240864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).