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

C9H12F4N4 — CID 106296095

IUPAC2-N,5-dimethyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(NCC(F)(F)C(F)F)n1
InChIInChI=1S/C9H12F4N4/c1-5-3-15-8(14-2)17-6(5)16-4-9(12,13)7(10)11/h3,7H,4H2,1-2H3,(H2,14,15,16,17)
InChIKeyJQMAIBXPENPXBC-UHFFFAOYSA-N
MW252.22 g/mol
LogP2.14
Rot. Bonds5

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

2-N,5-dimethyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-diamine (PubChem CID 106296095) has the molecular formula C9H12F4N4 and a molecular weight of 252.22 g/mol. Its IUPAC name is 2-N,5-dimethyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,5-dimethyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-diamine
PubChem CID106296095
Molecular FormulaC9H12F4N4
Molecular Weight252.22 g/mol
Exact Mass252.10
IUPAC Name2-N,5-dimethyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(NCC(F)(F)C(F)F)n1
InChIInChI=1S/C9H12F4N4/c1-5-3-15-8(14-2)17-6(5)16-4-9(12,13)7(10)11/h3,7H,4H2,1-2H3,(H2,14,15,16,17)
InChIKeyJQMAIBXPENPXBC-UHFFFAOYSA-N
XLogP2.14
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 52.14
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 2-N,5-dimethyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,5-dimethyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-diamine (CID 106296095) is 2-N,5-dimethyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,5-dimethyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,5-dimethyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-diamine is CNc1ncc(C)c(NCC(F)(F)C(F)F)n1.
What is the InChIKey of 2-N,5-dimethyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-diamine?
The InChIKey is JQMAIBXPENPXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F4N4/c1-5-3-15-8(14-2)17-6(5)16-4-9(12,13)7(10)11/h3,7H,4H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-N,5-dimethyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-diamine?
2-N,5-dimethyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-diamine has a molecular weight of 252.22 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-dimethyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 106296095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).