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

C12H18F3N3O — CID 80877715

IUPAC2,5-dimethyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
SMILESCCCNc1nc(C)nc(OC(C)C(F)(F)F)c1C
InChIInChI=1S/C12H18F3N3O/c1-5-6-16-10-7(2)11(18-9(4)17-10)19-8(3)12(13,14)15/h8H,5-6H2,1-4H3,(H,16,17,18)
InChIKeyHWHDOXIBKZUKCZ-UHFFFAOYSA-N
MW277.29 g/mol
LogP3.24
Rot. Bonds5

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

2,5-dimethyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine (PubChem CID 80877715) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 2,5-dimethyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
PubChem CID80877715
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name2,5-dimethyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
SMILESCCCNc1nc(C)nc(OC(C)C(F)(F)F)c1C
InChIInChI=1S/C12H18F3N3O/c1-5-6-16-10-7(2)11(18-9(4)17-10)19-8(3)12(13,14)15/h8H,5-6H2,1-4H3,(H,16,17,18)
InChIKeyHWHDOXIBKZUKCZ-UHFFFAOYSA-N
XLogP3.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The IUPAC name of 2,5-dimethyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine (CID 80877715) is 2,5-dimethyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dimethyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The canonical SMILES for 2,5-dimethyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine is CCCNc1nc(C)nc(OC(C)C(F)(F)F)c1C.
What is the InChIKey of 2,5-dimethyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The InChIKey is HWHDOXIBKZUKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-5-6-16-10-7(2)11(18-9(4)17-10)19-8(3)12(13,14)15/h8H,5-6H2,1-4H3,(H,16,17,18).
What are the key properties of 2,5-dimethyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
2,5-dimethyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine has a molecular weight of 277.29 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine is sourced from PubChem (CID 80877715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).