N-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine

C15H12F5N3O — CID 133435434

IUPACN-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFc1ccc(C2OCCC2Nc2nccc(C(F)(F)F)n2)cc1F
InChIInChI=1S/C15H12F5N3O/c16-9-2-1-8(7-10(9)17)13-11(4-6-24-13)22-14-21-5-3-12(23-14)15(18,19)20/h1-3,5,7,11,13H,4,6H2,(H,21,22,23)
InChIKeyKRGXWRODARUFSR-UHFFFAOYSA-N
MW345.27 g/mol
LogP3.72
Rot. Bonds3

About N-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 133435434) has the molecular formula C15H12F5N3O and a molecular weight of 345.27 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID133435434
Molecular FormulaC15H12F5N3O
Molecular Weight345.27 g/mol
Exact Mass345.09
IUPAC NameN-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFc1ccc(C2OCCC2Nc2nccc(C(F)(F)F)n2)cc1F
InChIInChI=1S/C15H12F5N3O/c16-9-2-1-8(7-10(9)17)13-11(4-6-24-13)22-14-21-5-3-12(23-14)15(18,19)20/h1-3,5,7,11,13H,4,6H2,(H,21,22,23)
InChIKeyKRGXWRODARUFSR-UHFFFAOYSA-N
XLogP3.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133435345
5-bromo-2-N-[(2R,3S)-2-(3,4-difluorophenyl)oxolan-3-yl]-4-N-methylpyrimidine-2,4-diamine
CID 99635271
6-chloro-4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]pyrimidine-2,4-diamine
CID 133435463
N-(2,3-dimethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 64923601
N-(2-chlorocyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 65029086
7-N-[4-(trifluoromethyl)pyrimidin-2-yl]-2-oxabicyclo[3.2.0]heptane-6,7-diamine
CID 66211121
4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
CID 133435270
(2S,3S)-2-(3,4-difluorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine
CID 97336733
N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 133435175
2-(3,4-difluorophenyl)oxolan-3-amine
CID 71683254
N-(1,4-dioxaspiro[4.5]decan-8-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 84583285
4-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 18460887

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 133435434) is N-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine is Fc1ccc(C2OCCC2Nc2nccc(C(F)(F)F)n2)cc1F.
What is the InChIKey of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is KRGXWRODARUFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F5N3O/c16-9-2-1-8(7-10(9)17)13-11(4-6-24-13)22-14-21-5-3-12(23-14)15(18,19)20/h1-3,5,7,11,13H,4,6H2,(H,21,22,23).
What are the key properties of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 345.27 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 133435434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).