N,2,5-trimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine

C10H12F5N3O — CID 80878225

IUPACN,2,5-trimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine
SMILESCNc1nc(C)nc(OCC(F)(F)C(F)(F)F)c1C
InChIInChI=1S/C10H12F5N3O/c1-5-7(16-3)17-6(2)18-8(5)19-4-9(11,12)10(13,14)15/h4H2,1-3H3,(H,16,17,18)
InChIKeyBGRMZLVPDGEMLH-UHFFFAOYSA-N
MW285.22 g/mol
LogP2.71
Rot. Bonds4

About N,2,5-trimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine

N,2,5-trimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine (PubChem CID 80878225) has the molecular formula C10H12F5N3O and a molecular weight of 285.22 g/mol. Its IUPAC name is N,2,5-trimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN,2,5-trimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine
PubChem CID80878225
Molecular FormulaC10H12F5N3O
Molecular Weight285.22 g/mol
Exact Mass285.09
IUPAC NameN,2,5-trimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine
SMILESCNc1nc(C)nc(OCC(F)(F)C(F)(F)F)c1C
InChIInChI=1S/C10H12F5N3O/c1-5-7(16-3)17-6(2)18-8(5)19-4-9(11,12)10(13,14)15/h4H2,1-3H3,(H,16,17,18)
InChIKeyBGRMZLVPDGEMLH-UHFFFAOYSA-N
XLogP2.71
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 52.71
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,2,5-trimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine?
The IUPAC name of N,2,5-trimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine (CID 80878225) is N,2,5-trimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine.
What is the SMILES notation for N,2,5-trimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine?
The canonical SMILES for N,2,5-trimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine is CNc1nc(C)nc(OCC(F)(F)C(F)(F)F)c1C.
What is the InChIKey of N,2,5-trimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine?
The InChIKey is BGRMZLVPDGEMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F5N3O/c1-5-7(16-3)17-6(2)18-8(5)19-4-9(11,12)10(13,14)15/h4H2,1-3H3,(H,16,17,18).
What are the key properties of N,2,5-trimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine?
N,2,5-trimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine has a molecular weight of 285.22 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine is sourced from PubChem (CID 80878225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).