5-methyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine

C11H16F3N3O — CID 80877217

IUPAC5-methyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
SMILESCCCNc1ncnc(OC(C)C(F)(F)F)c1C
InChIInChI=1S/C11H16F3N3O/c1-4-5-15-9-7(2)10(17-6-16-9)18-8(3)11(12,13)14/h6,8H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyJVELISDXDIJHQN-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.94
Rot. Bonds5

About 5-methyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine

5-methyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine (PubChem CID 80877217) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 5-methyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
PubChem CID80877217
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name5-methyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
SMILESCCCNc1ncnc(OC(C)C(F)(F)F)c1C
InChIInChI=1S/C11H16F3N3O/c1-4-5-15-9-7(2)10(17-6-16-9)18-8(3)11(12,13)14/h6,8H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyJVELISDXDIJHQN-UHFFFAOYSA-N
XLogP2.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The IUPAC name of 5-methyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine (CID 80877217) is 5-methyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine is CCCNc1ncnc(OC(C)C(F)(F)F)c1C.
What is the InChIKey of 5-methyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The InChIKey is JVELISDXDIJHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-4-5-15-9-7(2)10(17-6-16-9)18-8(3)11(12,13)14/h6,8H,4-5H2,1-3H3,(H,15,16,17).
What are the key properties of 5-methyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
5-methyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine has a molecular weight of 263.26 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine is sourced from PubChem (CID 80877217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).