5-methyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine

C12H18F3N3O — CID 82794553

IUPAC5-methyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(OCCCC(F)(F)F)n1
InChIInChI=1S/C12H18F3N3O/c1-3-5-9-17-10(16)8(2)11(18-9)19-7-4-6-12(13,14)15/h3-7H2,1-2H3,(H2,16,17,18)
InChIKeyOQNNXTPIZRZSRV-UHFFFAOYSA-N
MW277.29 g/mol
LogP3.04
Rot. Bonds6

About 5-methyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine

5-methyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine (PubChem CID 82794553) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 5-methyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
PubChem CID82794553
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name5-methyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(OCCCC(F)(F)F)n1
InChIInChI=1S/C12H18F3N3O/c1-3-5-9-17-10(16)8(2)11(18-9)19-7-4-6-12(13,14)15/h3-7H2,1-2H3,(H2,16,17,18)
InChIKeyOQNNXTPIZRZSRV-UHFFFAOYSA-N
XLogP3.04
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 53.04
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-methyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine?
The IUPAC name of 5-methyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine (CID 82794553) is 5-methyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine is CCCc1nc(N)c(C)c(OCCCC(F)(F)F)n1.
What is the InChIKey of 5-methyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine?
The InChIKey is OQNNXTPIZRZSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-3-5-9-17-10(16)8(2)11(18-9)19-7-4-6-12(13,14)15/h3-7H2,1-2H3,(H2,16,17,18).
What are the key properties of 5-methyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine?
5-methyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine has a molecular weight of 277.29 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine is sourced from PubChem (CID 82794553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).