N-(furan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine

C10H8F3N3O — CID 2809213

IUPACN-(furan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NCc2ccco2)n1
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)8-3-4-14-9(16-8)15-6-7-2-1-5-17-7/h1-5H,6H2,(H,14,15,16)
InChIKeyLWYWHWROPISHLI-UHFFFAOYSA-N
MW243.19 g/mol
LogP2.70
Rot. Bonds3

About N-(furan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine

N-(furan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 2809213) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID2809213
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC NameN-(furan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NCc2ccco2)n1
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)8-3-4-14-9(16-8)15-6-7-2-1-5-17-7/h1-5H,6H2,(H,14,15,16)
InChIKeyLWYWHWROPISHLI-UHFFFAOYSA-N
XLogP2.70
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 2809213) is N-(furan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1ccnc(NCc2ccco2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is LWYWHWROPISHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c11-10(12,13)8-3-4-14-9(16-8)15-6-7-2-1-5-17-7/h1-5H,6H2,(H,14,15,16).
What are the key properties of N-(furan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
N-(furan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 243.19 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 2809213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).