N,2-dipropyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine

C13H19F4N3O — CID 80943785

IUPACN,2-dipropyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
SMILESCCCNc1cc(OCC(F)(F)C(F)F)nc(CCC)n1
InChIInChI=1S/C13H19F4N3O/c1-3-5-9-19-10(18-6-4-2)7-11(20-9)21-8-13(16,17)12(14)15/h7,12H,3-6,8H2,1-2H3,(H,18,19,20)
InChIKeyGVVHOSYWFKSKDK-UHFFFAOYSA-N
MW309.31 g/mol
LogP3.53
Rot. Bonds9

About N,2-dipropyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine

N,2-dipropyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine (PubChem CID 80943785) has the molecular formula C13H19F4N3O and a molecular weight of 309.31 g/mol. Its IUPAC name is N,2-dipropyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dipropyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
PubChem CID80943785
Molecular FormulaC13H19F4N3O
Molecular Weight309.31 g/mol
Exact Mass309.15
IUPAC NameN,2-dipropyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
SMILESCCCNc1cc(OCC(F)(F)C(F)F)nc(CCC)n1
InChIInChI=1S/C13H19F4N3O/c1-3-5-9-19-10(18-6-4-2)7-11(20-9)21-8-13(16,17)12(14)15/h7,12H,3-6,8H2,1-2H3,(H,18,19,20)
InChIKeyGVVHOSYWFKSKDK-UHFFFAOYSA-N
XLogP3.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 53.53
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 N,2-dipropyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
The IUPAC name of N,2-dipropyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine (CID 80943785) is N,2-dipropyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine.
What is the SMILES notation for N,2-dipropyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
The canonical SMILES for N,2-dipropyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine is CCCNc1cc(OCC(F)(F)C(F)F)nc(CCC)n1.
What is the InChIKey of N,2-dipropyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
The InChIKey is GVVHOSYWFKSKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F4N3O/c1-3-5-9-19-10(18-6-4-2)7-11(20-9)21-8-13(16,17)12(14)15/h7,12H,3-6,8H2,1-2H3,(H,18,19,20).
What are the key properties of N,2-dipropyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
N,2-dipropyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine has a molecular weight of 309.31 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dipropyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine is sourced from PubChem (CID 80943785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).