N-(furan-2-ylmethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

C17H14F3N3O — CID 3234803

IUPACN-(furan-2-ylmethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCN(Cc1ccco1)c1ncncc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C17H14F3N3O/c1-23(10-12-5-4-8-24-12)16-14(9-21-11-22-16)13-6-2-3-7-15(13)17(18,19)20/h2-9,11H,10H2,1H3
InChIKeyKPTNZRIVAJCXMS-UHFFFAOYSA-N
MW333.31 g/mol
LogP4.39
Rot. Bonds4

About N-(furan-2-ylmethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

N-(furan-2-ylmethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 3234803) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID3234803
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCN(Cc1ccco1)c1ncncc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C17H14F3N3O/c1-23(10-12-5-4-8-24-12)16-14(9-21-11-22-16)13-6-2-3-7-15(13)17(18,19)20/h2-9,11H,10H2,1H3
InChIKeyKPTNZRIVAJCXMS-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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Related Compounds

6-chloro-2-(furan-2-yl)-N-(2,2,2-trifluoroethyl)-5-(2,4,6-trifluorophenyl)pyrimidin-4-amine
CID 11292713
2-Benzylsulfanyl-1-furan-2-ylmethyl-5-pyrimidin-5-ylmethyl-1H-pyrimidin-4-one
CID 18470306
2-(2-Fluoro-benzylsulfanyl)-1-furan-2-ylmethyl-5-pyrimidin-5-ylmethyl-1H-pyrimidin-4-one
CID 18470375
2-(3-Fluoro-benzylsulfanyl)-1-furan-2-ylmethyl-5-pyrimidin-5-ylmethyl-1H-pyrimidin-4-one
CID 18470516
N-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 3232663
5-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 3232775
2-[2-[(dimethylamino)methyl]phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
CID 3232916
5-(1,3-benzodioxol-5-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
CID 3232953
N-benzyl-5-(furan-3-yl)pyrimidin-4-amine
CID 3232979
N-(furan-2-ylmethyl)-N-methyl-6-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 3233017
2-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
CID 3233202
3-[6-[Furan-2-ylmethyl(methyl)amino]pyrimidin-4-yl]benzonitrile
CID 3233580

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 3234803) is N-(furan-2-ylmethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is CN(Cc1ccco1)c1ncncc1-c1ccccc1C(F)(F)F.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is KPTNZRIVAJCXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O/c1-23(10-12-5-4-8-24-12)16-14(9-21-11-22-16)13-6-2-3-7-15(13)17(18,19)20/h2-9,11H,10H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
N-(furan-2-ylmethyl)-N-methyl-5-[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-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 3234803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).