N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine

C11H14F3N3O2 — CID 104705614

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCOC1(CNc2nccc(C(F)(F)F)n2)CCOC1
InChIInChI=1S/C11H14F3N3O2/c1-18-10(3-5-19-7-10)6-16-9-15-4-2-8(17-9)11(12,13)14/h2,4H,3,5-7H2,1H3,(H,15,16,17)
InChIKeyXSFZYUWZNUZLBG-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.71
Rot. Bonds4

About N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 104705614) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID104705614
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCOC1(CNc2nccc(C(F)(F)F)n2)CCOC1
InChIInChI=1S/C11H14F3N3O2/c1-18-10(3-5-19-7-10)6-16-9-15-4-2-8(17-9)11(12,13)14/h2,4H,3,5-7H2,1H3,(H,15,16,17)
InChIKeyXSFZYUWZNUZLBG-UHFFFAOYSA-N
XLogP1.71
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Pyrrolidin-3-yloxy-4-(trifluoromethyl)pyrimidine
CID 64585868
(6S)-6-(pyrrolidin-1-ylmethyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-oxazepan-6-ol
CID 96360698
8-Methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 134072836
2-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)pyrimidine
CID 164630287
(4S)-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59173129
4-[2-[4-(Trifluoromethyl)pyrimidin-2-yl]oxyethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67177712
(3S)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyethyl]-2,3-dihydro-1H-pyrrol-5-amine
CID 141253176
N-[(2R)-1-methoxypropan-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 167221773
(2R,3R,4R,5S)-2-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol
CID 167222169
[(3S,4R,5S)-4-acetyloxy-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-3-yl] acetate
CID 171557123
(3S,4R,5S)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol
CID 171557537
(5S)-2-fluoro-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol
CID 172263853

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 104705614) is N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine is COC1(CNc2nccc(C(F)(F)F)n2)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is XSFZYUWZNUZLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-18-10(3-5-19-7-10)6-16-9-15-4-2-8(17-9)11(12,13)14/h2,4H,3,5-7H2,1H3,(H,15,16,17).
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 277.25 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 104705614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).