6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine

C7H8F3N3O — CID 80877295

IUPAC6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
SMILESCC(Oc1cc(N)ncn1)C(F)(F)F
InChIInChI=1S/C7H8F3N3O/c1-4(7(8,9)10)14-6-2-5(11)12-3-13-6/h2-4H,1H3,(H2,11,12,13)
InChIKeySHZPNGTWAZMWPI-UHFFFAOYSA-N
MW207.16 g/mol
LogP1.39
Rot. Bonds2

About 6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine

6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine (PubChem CID 80877295) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
PubChem CID80877295
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
SMILESCC(Oc1cc(N)ncn1)C(F)(F)F
InChIInChI=1S/C7H8F3N3O/c1-4(7(8,9)10)14-6-2-5(11)12-3-13-6/h2-4H,1H3,(H2,11,12,13)
InChIKeySHZPNGTWAZMWPI-UHFFFAOYSA-N
XLogP1.39
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The IUPAC name of 6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine (CID 80877295) is 6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine.
What is the SMILES notation for 6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The canonical SMILES for 6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine is CC(Oc1cc(N)ncn1)C(F)(F)F.
What is the InChIKey of 6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The InChIKey is SHZPNGTWAZMWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-4(7(8,9)10)14-6-2-5(11)12-3-13-6/h2-4H,1H3,(H2,11,12,13).
What are the key properties of 6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine has a molecular weight of 207.16 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine is sourced from PubChem (CID 80877295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).