1-[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]propan-2-amine

C11H15F4N3O — CID 103476626

IUPAC1-[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]propan-2-amine
SMILESCC(N)Cc1ccnc(COCC(F)(F)C(F)F)n1
InChIInChI=1S/C11H15F4N3O/c1-7(16)4-8-2-3-17-9(18-8)5-19-6-11(14,15)10(12)13/h2-3,7,10H,4-6,16H2,1H3
InChIKeyFJUWNIZLIJGSHC-UHFFFAOYSA-N
MW281.25 g/mol
LogP1.78
Rot. Bonds7

About 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]propan-2-amine

1-[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]propan-2-amine (PubChem CID 103476626) has the molecular formula C11H15F4N3O and a molecular weight of 281.25 g/mol. Its IUPAC name is 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]propan-2-amine
PubChem CID103476626
Molecular FormulaC11H15F4N3O
Molecular Weight281.25 g/mol
Exact Mass281.12
IUPAC Name1-[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]propan-2-amine
SMILESCC(N)Cc1ccnc(COCC(F)(F)C(F)F)n1
InChIInChI=1S/C11H15F4N3O/c1-7(16)4-8-2-3-17-9(18-8)5-19-6-11(14,15)10(12)13/h2-3,7,10H,4-6,16H2,1H3
InChIKeyFJUWNIZLIJGSHC-UHFFFAOYSA-N
XLogP1.78
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 51.78
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

2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 103476559
1-[2-(methoxymethyl)pyrimidin-4-yl]propan-2-amine
CID 62745395
1-[2-(3-methylbutyl)pyrimidin-4-yl]propan-2-amine
CID 62745394
1-[2-[(4-methylphenyl)methyl]pyrimidin-4-yl]propan-2-amine
CID 62744340
3-methyl-1-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103473064
1-(2-tert-butylpyrimidin-4-yl)propan-2-amine
CID 62744339
4-chloro-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
CID 103473589
2-methyl-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 103472963
1-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]propan-2-amine
CID 55114291
5-bromo-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
CID 103476292
[4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine
CID 43128661
ethyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylate
CID 103476111

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]propan-2-amine?
The IUPAC name of 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]propan-2-amine (CID 103476626) is 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]propan-2-amine?
The canonical SMILES for 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]propan-2-amine is CC(N)Cc1ccnc(COCC(F)(F)C(F)F)n1.
What is the InChIKey of 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]propan-2-amine?
The InChIKey is FJUWNIZLIJGSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F4N3O/c1-7(16)4-8-2-3-17-9(18-8)5-19-6-11(14,15)10(12)13/h2-3,7,10H,4-6,16H2,1H3.
What are the key properties of 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]propan-2-amine?
1-[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]propan-2-amine has a molecular weight of 281.25 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]propan-2-amine is sourced from PubChem (CID 103476626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).