2-ethyl-N,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine

C11H16F3N3O — CID 80990397

IUPAC2-ethyl-N,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(OC(C)C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-5-8-16-9(15-4)6(2)10(17-8)18-7(3)11(12,13)14/h7H,5H2,1-4H3,(H,15,16,17)
InChIKeyMFORPLDOZRDHBO-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.72
Rot. Bonds4

About 2-ethyl-N,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine

2-ethyl-N,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine (PubChem CID 80990397) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-ethyl-N,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
PubChem CID80990397
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name2-ethyl-N,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(OC(C)C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-5-8-16-9(15-4)6(2)10(17-8)18-7(3)11(12,13)14/h7H,5H2,1-4H3,(H,15,16,17)
InChIKeyMFORPLDOZRDHBO-UHFFFAOYSA-N
XLogP2.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine (CID 80990397) is 2-ethyl-N,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine is CCc1nc(NC)c(C)c(OC(C)C(F)(F)F)n1.
What is the InChIKey of 2-ethyl-N,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The InChIKey is MFORPLDOZRDHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-5-8-16-9(15-4)6(2)10(17-8)18-7(3)11(12,13)14/h7H,5H2,1-4H3,(H,15,16,17).
What are the key properties of 2-ethyl-N,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
2-ethyl-N,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine has a molecular weight of 263.26 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine is sourced from PubChem (CID 80990397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).