2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)-N-propylpyrimidin-4-amine

C12H16F5N3O — CID 80871132

IUPAC2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C)nc(OCC(F)(F)C(F)(F)F)c1C
InChIInChI=1S/C12H16F5N3O/c1-4-5-18-9-7(2)10(20-8(3)19-9)21-6-11(13,14)12(15,16)17/h4-6H2,1-3H3,(H,18,19,20)
InChIKeyDQCBLXRJSFFBNY-UHFFFAOYSA-N
MW313.27 g/mol
LogP3.49
Rot. Bonds6

About 2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)-N-propylpyrimidin-4-amine

2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)-N-propylpyrimidin-4-amine (PubChem CID 80871132) has the molecular formula C12H16F5N3O and a molecular weight of 313.27 g/mol. Its IUPAC name is 2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)-N-propylpyrimidin-4-amine
PubChem CID80871132
Molecular FormulaC12H16F5N3O
Molecular Weight313.27 g/mol
Exact Mass313.12
IUPAC Name2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C)nc(OCC(F)(F)C(F)(F)F)c1C
InChIInChI=1S/C12H16F5N3O/c1-4-5-18-9-7(2)10(20-8(3)19-9)21-6-11(13,14)12(15,16)17/h4-6H2,1-3H3,(H,18,19,20)
InChIKeyDQCBLXRJSFFBNY-UHFFFAOYSA-N
XLogP3.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 53.49
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 2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)-N-propylpyrimidin-4-amine?
The IUPAC name of 2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)-N-propylpyrimidin-4-amine (CID 80871132) is 2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)-N-propylpyrimidin-4-amine is CCCNc1nc(C)nc(OCC(F)(F)C(F)(F)F)c1C.
What is the InChIKey of 2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)-N-propylpyrimidin-4-amine?
The InChIKey is DQCBLXRJSFFBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F5N3O/c1-4-5-18-9-7(2)10(20-8(3)19-9)21-6-11(13,14)12(15,16)17/h4-6H2,1-3H3,(H,18,19,20).
What are the key properties of 2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)-N-propylpyrimidin-4-amine?
2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)-N-propylpyrimidin-4-amine has a molecular weight of 313.27 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80871132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).