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

C7H7ClF3N3O — CID 80740299

IUPAC4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine
SMILESCC(Oc1cc(Cl)nc(N)n1)C(F)(F)F
InChIInChI=1S/C7H7ClF3N3O/c1-3(7(9,10)11)15-5-2-4(8)13-6(12)14-5/h2-3H,1H3,(H2,12,13,14)
InChIKeyWKIYSXHFDAUPTA-UHFFFAOYSA-N
MW241.60 g/mol
LogP2.04
Rot. Bonds2

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

4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine (PubChem CID 80740299) has the molecular formula C7H7ClF3N3O and a molecular weight of 241.60 g/mol. Its IUPAC name is 4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine
PubChem CID80740299
Molecular FormulaC7H7ClF3N3O
Molecular Weight241.60 g/mol
Exact Mass241.02
IUPAC Name4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine
SMILESCC(Oc1cc(Cl)nc(N)n1)C(F)(F)F
InChIInChI=1S/C7H7ClF3N3O/c1-3(7(9,10)11)15-5-2-4(8)13-6(12)14-5/h2-3H,1H3,(H2,12,13,14)
InChIKeyWKIYSXHFDAUPTA-UHFFFAOYSA-N
XLogP2.04
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.60
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine (CID 80740299) is 4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine is CC(Oc1cc(Cl)nc(N)n1)C(F)(F)F.
What is the InChIKey of 4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine?
The InChIKey is WKIYSXHFDAUPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N3O/c1-3(7(9,10)11)15-5-2-4(8)13-6(12)14-5/h2-3H,1H3,(H2,12,13,14).
What are the key properties of 4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine?
4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine has a molecular weight of 241.60 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine is sourced from PubChem (CID 80740299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).