5-propan-2-yl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine

C11H16F3N3O — CID 82795274

IUPAC5-propan-2-yl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1OCCCC(F)(F)F
InChIInChI=1S/C11H16F3N3O/c1-7(2)8-9(15)16-6-17-10(8)18-5-3-4-11(12,13)14/h6-7H,3-5H2,1-2H3,(H2,15,16,17)
InChIKeyYUYMILNZZSPKTB-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.90
Rot. Bonds5

About 5-propan-2-yl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine

5-propan-2-yl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine (PubChem CID 82795274) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 5-propan-2-yl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-propan-2-yl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
PubChem CID82795274
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name5-propan-2-yl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1OCCCC(F)(F)F
InChIInChI=1S/C11H16F3N3O/c1-7(2)8-9(15)16-6-17-10(8)18-5-3-4-11(12,13)14/h6-7H,3-5H2,1-2H3,(H2,15,16,17)
InChIKeyYUYMILNZZSPKTB-UHFFFAOYSA-N
XLogP2.90
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.90
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-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
CID 82958852
5-methyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794815
N-methyl-5-propan-2-yl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794977
6-heptoxy-5-propan-2-ylpyrimidin-4-amine
CID 80861295
6-[(2-methylpropan-2-yl)oxy]-5-propan-2-ylpyrimidin-4-amine
CID 80861603
5-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine
CID 80868547
4-N-methyl-5-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80847885
5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80785534
[5-ethyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine
CID 82795276
5-propan-2-yl-6-(4-propoxyphenoxy)pyrimidin-4-amine
CID 80874994
[6-(3,3-dimethylbutoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80923447
6-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine
CID 82788708

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine?
The IUPAC name of 5-propan-2-yl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine (CID 82795274) is 5-propan-2-yl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-propan-2-yl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine?
The canonical SMILES for 5-propan-2-yl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine is CC(C)c1c(N)ncnc1OCCCC(F)(F)F.
What is the InChIKey of 5-propan-2-yl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine?
The InChIKey is YUYMILNZZSPKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-7(2)8-9(15)16-6-17-10(8)18-5-3-4-11(12,13)14/h6-7H,3-5H2,1-2H3,(H2,15,16,17).
What are the key properties of 5-propan-2-yl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine?
5-propan-2-yl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine has a molecular weight of 263.26 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine is sourced from PubChem (CID 82795274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).