1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine

C10H11F6N3O — CID 102723105

IUPAC1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(OC(C(F)(F)F)C(F)(F)F)nc1C
InChIInChI=1S/C10H11F6N3O/c1-5-6(3-17-2)4-18-8(19-5)20-7(9(11,12)13)10(14,15)16/h4,7,17H,3H2,1-2H3
InChIKeyGTPNEJXJSWWLTG-UHFFFAOYSA-N
MW303.21 g/mol
LogP2.38
Rot. Bonds4

About 1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine

1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine (PubChem CID 102723105) has the molecular formula C10H11F6N3O and a molecular weight of 303.21 g/mol. Its IUPAC name is 1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
PubChem CID102723105
Molecular FormulaC10H11F6N3O
Molecular Weight303.21 g/mol
Exact Mass303.08
IUPAC Name1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(OC(C(F)(F)F)C(F)(F)F)nc1C
InChIInChI=1S/C10H11F6N3O/c1-5-6(3-17-2)4-18-8(19-5)20-7(9(11,12)13)10(14,15)16/h4,7,17H,3H2,1-2H3
InChIKeyGTPNEJXJSWWLTG-UHFFFAOYSA-N
XLogP2.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine (CID 102723105) is 1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine is CNCc1cnc(OC(C(F)(F)F)C(F)(F)F)nc1C.
What is the InChIKey of 1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is GTPNEJXJSWWLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F6N3O/c1-5-6(3-17-2)4-18-8(19-5)20-7(9(11,12)13)10(14,15)16/h4,7,17H,3H2,1-2H3.
What are the key properties of 1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 303.21 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 102723105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).