4-methoxy-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-amine

C10H14F3N3O — CID 104854517

IUPAC4-methoxy-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-amine
SMILESCOc1cc(C)nc(NC(C)CC(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-6-4-8(17-3)16-9(14-6)15-7(2)5-10(11,12)13/h4,7H,5H2,1-3H3,(H,14,15,16)
InChIKeyWCTAVOFFDFDGAB-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.55
Rot. Bonds4

About 4-methoxy-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-amine

4-methoxy-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-amine (PubChem CID 104854517) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 4-methoxy-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-amine
PubChem CID104854517
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name4-methoxy-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-amine
SMILESCOc1cc(C)nc(NC(C)CC(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-6-4-8(17-3)16-9(14-6)15-7(2)5-10(11,12)13/h4,7H,5H2,1-3H3,(H,14,15,16)
InChIKeyWCTAVOFFDFDGAB-UHFFFAOYSA-N
XLogP2.55
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-amine (CID 104854517) is 4-methoxy-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-amine is COc1cc(C)nc(NC(C)CC(F)(F)F)n1.
What is the InChIKey of 4-methoxy-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-amine?
The InChIKey is WCTAVOFFDFDGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-6-4-8(17-3)16-9(14-6)15-7(2)5-10(11,12)13/h4,7H,5H2,1-3H3,(H,14,15,16).
What are the key properties of 4-methoxy-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-amine?
4-methoxy-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-amine has a molecular weight of 249.24 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 104854517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).