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

C8H10F4N4O — CID 106296253

IUPAC5-methoxy-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine
SMILESCOc1c(N)ncnc1NCC(F)(F)C(F)F
InChIInChI=1S/C8H10F4N4O/c1-17-4-5(13)15-3-16-6(4)14-2-8(11,12)7(9)10/h3,7H,2H2,1H3,(H3,13,14,15,16)
InChIKeyUUXHOWDWKKBICU-UHFFFAOYSA-N
MW254.19 g/mol
LogP1.38
Rot. Bonds5

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

5-methoxy-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine (PubChem CID 106296253) has the molecular formula C8H10F4N4O and a molecular weight of 254.19 g/mol. Its IUPAC name is 5-methoxy-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine
PubChem CID106296253
Molecular FormulaC8H10F4N4O
Molecular Weight254.19 g/mol
Exact Mass254.08
IUPAC Name5-methoxy-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine
SMILESCOc1c(N)ncnc1NCC(F)(F)C(F)F
InChIInChI=1S/C8H10F4N4O/c1-17-4-5(13)15-3-16-6(4)14-2-8(11,12)7(9)10/h3,7H,2H2,1H3,(H3,13,14,15,16)
InChIKeyUUXHOWDWKKBICU-UHFFFAOYSA-N
XLogP1.38
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.19
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,5-diamine
CID 106289832
2-[(6-amino-5-methoxypyrimidin-4-yl)amino]ethylurea
CID 83118452
5-ethyl-6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine
CID 106296144
5-methoxy-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
CID 106219502
6-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine
CID 114169053
2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 113405779
5-chloro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
CID 106294327
5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80785534
4-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)benzene-1,2-diamine
CID 106290004
2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide
CID 114133405
6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine
CID 106289927
6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
CID 106293653

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-methoxy-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine (CID 106296253) is 5-methoxy-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-methoxy-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-methoxy-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine is COc1c(N)ncnc1NCC(F)(F)C(F)F.
What is the InChIKey of 5-methoxy-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine?
The InChIKey is UUXHOWDWKKBICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4N4O/c1-17-4-5(13)15-3-16-6(4)14-2-8(11,12)7(9)10/h3,7H,2H2,1H3,(H3,13,14,15,16).
What are the key properties of 5-methoxy-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine?
5-methoxy-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine has a molecular weight of 254.19 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106296253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).