5-ethyl-6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine

C12H18F4N4 — CID 106296144

IUPAC5-ethyl-6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCC(F)(F)C(F)F)c1CC
InChIInChI=1S/C12H18F4N4/c1-3-5-17-9-8(4-2)10(20-7-19-9)18-6-12(15,16)11(13)14/h7,11H,3-6H2,1-2H3,(H2,17,18,19,20)
InChIKeyMPZNXMFYAZGISC-UHFFFAOYSA-N
MW294.30 g/mol
LogP3.17
Rot. Bonds8

About 5-ethyl-6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine

5-ethyl-6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine (PubChem CID 106296144) has the molecular formula C12H18F4N4 and a molecular weight of 294.30 g/mol. Its IUPAC name is 5-ethyl-6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine
PubChem CID106296144
Molecular FormulaC12H18F4N4
Molecular Weight294.30 g/mol
Exact Mass294.15
IUPAC Name5-ethyl-6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCC(F)(F)C(F)F)c1CC
InChIInChI=1S/C12H18F4N4/c1-3-5-17-9-8(4-2)10(20-7-19-9)18-6-12(15,16)11(13)14/h7,11H,3-6H2,1-2H3,(H2,17,18,19,20)
InChIKeyMPZNXMFYAZGISC-UHFFFAOYSA-N
XLogP3.17
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80797563
3,5-difluoro-2-N-propyl-6-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,6-diamine
CID 106296104
5-ethyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80768376
5-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 106149949
5-ethyl-4-N-(2-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80833383
5-methoxy-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine
CID 106296253
5-ethyl-N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
CID 106784371
5-ethyl-N-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794819
5-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80772654
5-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80839291
6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 106296188
6-N,2-dipropyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine
CID 106296233

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine (CID 106296144) is 5-ethyl-6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine is CCCNc1ncnc(NCC(F)(F)C(F)F)c1CC.
What is the InChIKey of 5-ethyl-6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine?
The InChIKey is MPZNXMFYAZGISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F4N4/c1-3-5-17-9-8(4-2)10(20-7-19-9)18-6-12(15,16)11(13)14/h7,11H,3-6H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 5-ethyl-6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine?
5-ethyl-6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine has a molecular weight of 294.30 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106296144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).