5-methyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine

C11H15F4N3O — CID 80868388

IUPAC5-methyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
SMILESCCCNc1ncnc(OCC(F)(F)C(F)F)c1C
InChIInChI=1S/C11H15F4N3O/c1-3-4-16-8-7(2)9(18-6-17-8)19-5-11(14,15)10(12)13/h6,10H,3-5H2,1-2H3,(H,16,17,18)
InChIKeyBXBRMZSZZIHAGO-UHFFFAOYSA-N
MW281.25 g/mol
LogP2.89
Rot. Bonds7

About 5-methyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine

5-methyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine (PubChem CID 80868388) has the molecular formula C11H15F4N3O and a molecular weight of 281.25 g/mol. Its IUPAC name is 5-methyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
PubChem CID80868388
Molecular FormulaC11H15F4N3O
Molecular Weight281.25 g/mol
Exact Mass281.12
IUPAC Name5-methyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
SMILESCCCNc1ncnc(OCC(F)(F)C(F)F)c1C
InChIInChI=1S/C11H15F4N3O/c1-3-4-16-8-7(2)9(18-6-17-8)19-5-11(14,15)10(12)13/h6,10H,3-5H2,1-2H3,(H,16,17,18)
InChIKeyBXBRMZSZZIHAGO-UHFFFAOYSA-N
XLogP2.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
The IUPAC name of 5-methyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine (CID 80868388) is 5-methyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine is CCCNc1ncnc(OCC(F)(F)C(F)F)c1C.
What is the InChIKey of 5-methyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
The InChIKey is BXBRMZSZZIHAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F4N3O/c1-3-4-16-8-7(2)9(18-6-17-8)19-5-11(14,15)10(12)13/h6,10H,3-5H2,1-2H3,(H,16,17,18).
What are the key properties of 5-methyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
5-methyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine has a molecular weight of 281.25 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine is sourced from PubChem (CID 80868388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).