N-(furan-2-ylmethyl)-N-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

C17H14F3N3O — CID 3232691

IUPACN-(furan-2-ylmethyl)-N-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCN(Cc1ccco1)c1cc(-c2ccccc2C(F)(F)F)ncn1
InChIInChI=1S/C17H14F3N3O/c1-23(10-12-5-4-8-24-12)16-9-15(21-11-22-16)13-6-2-3-7-14(13)17(18,19)20/h2-9,11H,10H2,1H3
InChIKeyRTHGVNYOWXHPOT-UHFFFAOYSA-N
MW333.31 g/mol
LogP4.39
Rot. Bonds4

About N-(furan-2-ylmethyl)-N-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

N-(furan-2-ylmethyl)-N-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 3232691) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID3232691
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCN(Cc1ccco1)c1cc(-c2ccccc2C(F)(F)F)ncn1
InChIInChI=1S/C17H14F3N3O/c1-23(10-12-5-4-8-24-12)16-9-15(21-11-22-16)13-6-2-3-7-14(13)17(18,19)20/h2-9,11H,10H2,1H3
InChIKeyRTHGVNYOWXHPOT-UHFFFAOYSA-N
XLogP4.39
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 3232691) is N-(furan-2-ylmethyl)-N-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is CN(Cc1ccco1)c1cc(-c2ccccc2C(F)(F)F)ncn1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is RTHGVNYOWXHPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O/c1-23(10-12-5-4-8-24-12)16-9-15(21-11-22-16)13-6-2-3-7-14(13)17(18,19)20/h2-9,11H,10H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
N-(furan-2-ylmethyl)-N-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 333.31 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 3232691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).