5-ethyl-N-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine

C13H20F3N3O — CID 82794819

IUPAC5-ethyl-N-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
SMILESCCCNc1ncnc(OCCCC(F)(F)F)c1CC
InChIInChI=1S/C13H20F3N3O/c1-3-7-17-11-10(4-2)12(19-9-18-11)20-8-5-6-13(14,15)16/h9H,3-8H2,1-2H3,(H,17,18,19)
InChIKeyOJVKZLJJQKFEFQ-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.58
Rot. Bonds8

About 5-ethyl-N-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine

5-ethyl-N-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine (PubChem CID 82794819) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is 5-ethyl-N-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
PubChem CID82794819
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name5-ethyl-N-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
SMILESCCCNc1ncnc(OCCCC(F)(F)F)c1CC
InChIInChI=1S/C13H20F3N3O/c1-3-7-17-11-10(4-2)12(19-9-18-11)20-8-5-6-13(14,15)16/h9H,3-8H2,1-2H3,(H,17,18,19)
InChIKeyOJVKZLJJQKFEFQ-UHFFFAOYSA-N
XLogP3.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-ethyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine
CID 82795276
N-ethyl-5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794971
5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine
CID 80859758
5-ethyl-6-[3-(2-methoxyethoxy)propoxy]-N-propylpyrimidin-4-amine
CID 103408222
5-ethyl-6-[2-(3-methoxypropoxy)ethoxy]-N-propylpyrimidin-4-amine
CID 103176402
N,5-diethyl-6-heptoxypyrimidin-4-amine
CID 80862239
6-butoxy-5-ethyl-N-methylpyrimidin-4-amine
CID 80866739
6-(3-methoxy-3-methylbutoxy)-N,5-dipropylpyrimidin-4-amine
CID 106669014
5-bromo-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 114072281
5-methyl-6-pentoxy-N-propylpyrimidin-4-amine
CID 80866591
(5-ethyl-6-heptoxypyrimidin-4-yl)hydrazine
CID 80910142
N-methyl-5-propan-2-yl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794977

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine?
The IUPAC name of 5-ethyl-N-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine (CID 82794819) is 5-ethyl-N-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine is CCCNc1ncnc(OCCCC(F)(F)F)c1CC.
What is the InChIKey of 5-ethyl-N-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine?
The InChIKey is OJVKZLJJQKFEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-3-7-17-11-10(4-2)12(19-9-18-11)20-8-5-6-13(14,15)16/h9H,3-8H2,1-2H3,(H,17,18,19).
What are the key properties of 5-ethyl-N-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine?
5-ethyl-N-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine has a molecular weight of 291.32 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine is sourced from PubChem (CID 82794819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).