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

C13H20F3N3O — CID 82794971

IUPACN-ethyl-5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1OCCCC(F)(F)F
InChIInChI=1S/C13H20F3N3O/c1-3-6-10-11(17-4-2)18-9-19-12(10)20-8-5-7-13(14,15)16/h9H,3-8H2,1-2H3,(H,17,18,19)
InChIKeyRKJPYDDLEMWDOY-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.58
Rot. Bonds8

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

N-ethyl-5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine (PubChem CID 82794971) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is N-ethyl-5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
PubChem CID82794971
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC NameN-ethyl-5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1OCCCC(F)(F)F
InChIInChI=1S/C13H20F3N3O/c1-3-6-10-11(17-4-2)18-9-19-12(10)20-8-5-7-13(14,15)16/h9H,3-8H2,1-2H3,(H,17,18,19)
InChIKeyRKJPYDDLEMWDOY-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-N-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794819
6-(2-butoxyethoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80861396
6-ethoxy-N-ethyl-5-propylpyrimidin-4-amine
CID 80858401
[5-ethyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine
CID 82795276
N-ethyl-6-[(2-methylpropan-2-yl)oxy]-5-propylpyrimidin-4-amine
CID 80861209
N,5-diethyl-6-heptoxypyrimidin-4-amine
CID 80862239
6-(3-methoxy-3-methylbutoxy)-N,5-dipropylpyrimidin-4-amine
CID 106669014
6-heptoxy-N-methyl-5-propylpyrimidin-4-amine
CID 80861395
N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-propylpyrimidin-4-amine
CID 112590923
3,5-dichloro-N-ethyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine
CID 102761118
6-chloro-5-propyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 113327992
N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-propylpyrimidin-4-amine
CID 80879280

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine (CID 82794971) is N-ethyl-5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine is CCCc1c(NCC)ncnc1OCCCC(F)(F)F.
What is the InChIKey of N-ethyl-5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine?
The InChIKey is RKJPYDDLEMWDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-3-6-10-11(17-4-2)18-9-19-12(10)20-8-5-7-13(14,15)16/h9H,3-8H2,1-2H3,(H,17,18,19).
What are the key properties of N-ethyl-5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine?
N-ethyl-5-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 N-ethyl-5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine is sourced from PubChem (CID 82794971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).