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

C11H16F3N3O — CID 82794975

IUPAC5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
SMILESCCCc1c(N)ncnc1OCCCC(F)(F)F
InChIInChI=1S/C11H16F3N3O/c1-2-4-8-9(15)16-7-17-10(8)18-6-3-5-11(12,13)14/h7H,2-6H2,1H3,(H2,15,16,17)
InChIKeyHDELSBHJCBNHKX-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.73
Rot. Bonds6

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

5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine (PubChem CID 82794975) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
PubChem CID82794975
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
SMILESCCCc1c(N)ncnc1OCCCC(F)(F)F
InChIInChI=1S/C11H16F3N3O/c1-2-4-8-9(15)16-7-17-10(8)18-6-3-5-11(12,13)14/h7H,2-6H2,1H3,(H2,15,16,17)
InChIKeyHDELSBHJCBNHKX-UHFFFAOYSA-N
XLogP2.73
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.73
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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Frequently Asked Questions

What is the IUPAC name of 5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine?
The IUPAC name of 5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine (CID 82794975) is 5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine?
The canonical SMILES for 5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine is CCCc1c(N)ncnc1OCCCC(F)(F)F.
What is the InChIKey of 5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine?
The InChIKey is HDELSBHJCBNHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-2-4-8-9(15)16-7-17-10(8)18-6-3-5-11(12,13)14/h7H,2-6H2,1H3,(H2,15,16,17).
What are the key properties of 5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine?
5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine has a molecular weight of 263.26 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine is sourced from PubChem (CID 82794975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).