5-fluoro-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine

C7H11FN4O — CID 83697169

IUPAC5-fluoro-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
SMILESCOCCNc1ncc(F)c(N)n1
InChIInChI=1S/C7H11FN4O/c1-13-3-2-10-7-11-4-5(8)6(9)12-7/h4H,2-3H2,1H3,(H3,9,10,11,12)
InChIKeyMCEOEYTZYLZKRE-UHFFFAOYSA-N
MW186.19 g/mol
LogP0.26
Rot. Bonds4

About 5-fluoro-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine

5-fluoro-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine (PubChem CID 83697169) has the molecular formula C7H11FN4O and a molecular weight of 186.19 g/mol. Its IUPAC name is 5-fluoro-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
PubChem CID83697169
Molecular FormulaC7H11FN4O
Molecular Weight186.19 g/mol
Exact Mass186.09
IUPAC Name5-fluoro-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
SMILESCOCCNc1ncc(F)c(N)n1
InChIInChI=1S/C7H11FN4O/c1-13-3-2-10-7-11-4-5(8)6(9)12-7/h4H,2-3H2,1H3,(H3,9,10,11,12)
InChIKeyMCEOEYTZYLZKRE-UHFFFAOYSA-N
XLogP0.26
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine (CID 83697169) is 5-fluoro-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine is COCCNc1ncc(F)c(N)n1.
What is the InChIKey of 5-fluoro-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
The InChIKey is MCEOEYTZYLZKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4O/c1-13-3-2-10-7-11-4-5(8)6(9)12-7/h4H,2-3H2,1H3,(H3,9,10,11,12).
What are the key properties of 5-fluoro-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
5-fluoro-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine has a molecular weight of 186.19 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 83697169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).