N-(2-methyloxolan-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine

C10H12F3N3O — CID 82728947

IUPACN-(2-methyloxolan-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC1OCCC1Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O/c1-6-7(3-5-17-6)15-9-14-4-2-8(16-9)10(11,12)13/h2,4,6-7H,3,5H2,1H3,(H,14,15,16)
InChIKeyQLAVLFXDJJKGKK-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.08
Rot. Bonds2

About N-(2-methyloxolan-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine

N-(2-methyloxolan-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 82728947) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is N-(2-methyloxolan-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methyloxolan-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID82728947
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC NameN-(2-methyloxolan-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC1OCCC1Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O/c1-6-7(3-5-17-6)15-9-14-4-2-8(16-9)10(11,12)13/h2,4,6-7H,3,5H2,1H3,(H,14,15,16)
InChIKeyQLAVLFXDJJKGKK-UHFFFAOYSA-N
XLogP2.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyloxolan-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(2-methyloxolan-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 82728947) is N-(2-methyloxolan-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-methyloxolan-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(2-methyloxolan-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine is CC1OCCC1Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-(2-methyloxolan-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is QLAVLFXDJJKGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-6-7(3-5-17-6)15-9-14-4-2-8(16-9)10(11,12)13/h2,4,6-7H,3,5H2,1H3,(H,14,15,16).
What are the key properties of N-(2-methyloxolan-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
N-(2-methyloxolan-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 247.22 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyloxolan-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 82728947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).