N-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine

C17H14F3N3O2 — CID 2989085

IUPACN-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1cccc(-c2cc(C(F)(F)F)nc(NCc3ccco3)n2)c1
InChIInChI=1S/C17H14F3N3O2/c1-24-12-5-2-4-11(8-12)14-9-15(17(18,19)20)23-16(22-14)21-10-13-6-3-7-25-13/h2-9H,10H2,1H3,(H,21,22,23)
InChIKeyHFTRAKLGQHUFCD-UHFFFAOYSA-N
MW349.31 g/mol
LogP4.38
Rot. Bonds5

About N-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine

N-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 2989085) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID2989085
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC NameN-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1cccc(-c2cc(C(F)(F)F)nc(NCc3ccco3)n2)c1
InChIInChI=1S/C17H14F3N3O2/c1-24-12-5-2-4-11(8-12)14-9-15(17(18,19)20)23-16(22-14)21-10-13-6-3-7-25-13/h2-9H,10H2,1H3,(H,21,22,23)
InChIKeyHFTRAKLGQHUFCD-UHFFFAOYSA-N
XLogP4.38
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 2989085) is N-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine is COc1cccc(-c2cc(C(F)(F)F)nc(NCc3ccco3)n2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is HFTRAKLGQHUFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c1-24-12-5-2-4-11(8-12)14-9-15(17(18,19)20)23-16(22-14)21-10-13-6-3-7-25-13/h2-9H,10H2,1H3,(H,21,22,23).
What are the key properties of N-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
N-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 349.31 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 2989085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).