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

C16H12F3N3O2 — CID 4144926

IUPACN-(furan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
SMILESFC(F)(F)Oc1ccc(-c2cnc(NCc3ccco3)nc2)cc1
InChIInChI=1S/C16H12F3N3O2/c17-16(18,19)24-13-5-3-11(4-6-13)12-8-20-15(21-9-12)22-10-14-2-1-7-23-14/h1-9H,10H2,(H,20,21,22)
InChIKeyGUAZLYBQWZFLNN-UHFFFAOYSA-N
MW335.29 g/mol
LogP4.25
Rot. Bonds5

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

N-(furan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine (PubChem CID 4144926) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
PubChem CID4144926
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC NameN-(furan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
SMILESFC(F)(F)Oc1ccc(-c2cnc(NCc3ccco3)nc2)cc1
InChIInChI=1S/C16H12F3N3O2/c17-16(18,19)24-13-5-3-11(4-6-13)12-8-20-15(21-9-12)22-10-14-2-1-7-23-14/h1-9H,10H2,(H,20,21,22)
InChIKeyGUAZLYBQWZFLNN-UHFFFAOYSA-N
XLogP4.25
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 2744497
N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 28514232
2,2,2-trichloro-N-(furan-2-ylmethyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanamine
CID 13061814
2-(2,2-dimethylpropyl)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 118455092
2-ethylsulfanyl-5-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 151802827
N-ethyl-2-(furan-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 105029616
2-methyl-5-phenylpyridine;2-methyl-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 158386173
2-(difluoromethoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 71302315
[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methanamine;hydrochloride
CID 157332265
N-[2-(furan-2-yl)ethyl]-5-methoxypyrimidin-2-amine
CID 114600435
6-(3-fluorophenoxy)-N-(furan-2-ylmethyl)pyridin-3-amine
CID 42691297
2-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109255066

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine (CID 4144926) is N-(furan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine is FC(F)(F)Oc1ccc(-c2cnc(NCc3ccco3)nc2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
The InChIKey is GUAZLYBQWZFLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c17-16(18,19)24-13-5-3-11(4-6-13)12-8-20-15(21-9-12)22-10-14-2-1-7-23-14/h1-9H,10H2,(H,20,21,22).
What are the key properties of N-(furan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
N-(furan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine has a molecular weight of 335.29 g/mol, XLogP of 4.25, 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)-5-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 4144926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).