5-ethyl-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine

C10H12F5N3O — CID 80877734

IUPAC5-ethyl-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine
SMILESCCc1c(NC)ncnc1OCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F5N3O/c1-3-6-7(16-2)17-5-18-8(6)19-4-9(11,12)10(13,14)15/h5H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyDCYAYMWFRYNKSJ-UHFFFAOYSA-N
MW285.22 g/mol
LogP2.66
Rot. Bonds5

About 5-ethyl-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine

5-ethyl-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine (PubChem CID 80877734) has the molecular formula C10H12F5N3O and a molecular weight of 285.22 g/mol. Its IUPAC name is 5-ethyl-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine
PubChem CID80877734
Molecular FormulaC10H12F5N3O
Molecular Weight285.22 g/mol
Exact Mass285.09
IUPAC Name5-ethyl-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine
SMILESCCc1c(NC)ncnc1OCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F5N3O/c1-3-6-7(16-2)17-5-18-8(6)19-4-9(11,12)10(13,14)15/h5H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyDCYAYMWFRYNKSJ-UHFFFAOYSA-N
XLogP2.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

6-butoxy-5-ethyl-N-methylpyrimidin-4-amine
CID 80866739
5-ethyl-N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine
CID 112590958
6-[(4-bromophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
CID 82825139
6-(2,3-dimethylphenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 80864818
5-ethyl-6-[(4-methoxyphenyl)methoxy]-N-methylpyrimidin-4-amine
CID 80867429
6-[(2-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
CID 80859300
5-ethyl-6-(3-methoxycyclohexyl)oxy-N-methylpyrimidin-4-amine
CID 80876040
[5-ethyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine
CID 82795276
5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80770928
6-[(3-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
CID 80876248
5-ethyl-N-methyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880121
6-(2,5-dimethylphenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 80863980

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine?
The IUPAC name of 5-ethyl-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine (CID 80877734) is 5-ethyl-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine is CCc1c(NC)ncnc1OCC(F)(F)C(F)(F)F.
What is the InChIKey of 5-ethyl-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine?
The InChIKey is DCYAYMWFRYNKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F5N3O/c1-3-6-7(16-2)17-5-18-8(6)19-4-9(11,12)10(13,14)15/h5H,3-4H2,1-2H3,(H,16,17,18).
What are the key properties of 5-ethyl-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine?
5-ethyl-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine has a molecular weight of 285.22 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine is sourced from PubChem (CID 80877734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).