4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,5-diamine

C7H8F4N4 — CID 106289832

IUPAC4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,5-diamine
SMILESNc1cncnc1NCC(F)(F)C(F)F
InChIInChI=1S/C7H8F4N4/c8-6(9)7(10,11)2-14-5-4(12)1-13-3-15-5/h1,3,6H,2,12H2,(H,13,14,15)
InChIKeyQNTPKHVMCOCLPT-UHFFFAOYSA-N
MW224.16 g/mol
LogP1.37
Rot. Bonds4

About 4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,5-diamine

4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,5-diamine (PubChem CID 106289832) has the molecular formula C7H8F4N4 and a molecular weight of 224.16 g/mol. Its IUPAC name is 4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,5-diamine
PubChem CID106289832
Molecular FormulaC7H8F4N4
Molecular Weight224.16 g/mol
Exact Mass224.07
IUPAC Name4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,5-diamine
SMILESNc1cncnc1NCC(F)(F)C(F)F
InChIInChI=1S/C7H8F4N4/c8-6(9)7(10,11)2-14-5-4(12)1-13-3-15-5/h1,3,6H,2,12H2,(H,13,14,15)
InChIKeyQNTPKHVMCOCLPT-UHFFFAOYSA-N
XLogP1.37
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.16
LogP ≤ 51.37
H-Bond Donors ≤ 52
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 4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,5-diamine (CID 106289832) is 4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,5-diamine is Nc1cncnc1NCC(F)(F)C(F)F.
What is the InChIKey of 4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,5-diamine?
The InChIKey is QNTPKHVMCOCLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4N4/c8-6(9)7(10,11)2-14-5-4(12)1-13-3-15-5/h1,3,6H,2,12H2,(H,13,14,15).
What are the key properties of 4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,5-diamine?
4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,5-diamine has a molecular weight of 224.16 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 106289832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).