2-[2-(dimethylamino)ethoxy]-6-fluoro-N-methylpyrimidin-4-amine

C9H15FN4O — CID 145047144

IUPAC2-[2-(dimethylamino)ethoxy]-6-fluoro-N-methylpyrimidin-4-amine
SMILESCNc1cc(F)nc(OCCN(C)C)n1
InChIInChI=1S/C9H15FN4O/c1-11-8-6-7(10)12-9(13-8)15-5-4-14(2)3/h6H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyRBJYNPUUFYUIOQ-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.60
Rot. Bonds5

About 2-[2-(dimethylamino)ethoxy]-6-fluoro-N-methylpyrimidin-4-amine

2-[2-(dimethylamino)ethoxy]-6-fluoro-N-methylpyrimidin-4-amine (PubChem CID 145047144) has the molecular formula C9H15FN4O and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-6-fluoro-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-6-fluoro-N-methylpyrimidin-4-amine
PubChem CID145047144
Molecular FormulaC9H15FN4O
Molecular Weight214.24 g/mol
Exact Mass214.12
IUPAC Name2-[2-(dimethylamino)ethoxy]-6-fluoro-N-methylpyrimidin-4-amine
SMILESCNc1cc(F)nc(OCCN(C)C)n1
InChIInChI=1S/C9H15FN4O/c1-11-8-6-7(10)12-9(13-8)15-5-4-14(2)3/h6H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyRBJYNPUUFYUIOQ-UHFFFAOYSA-N
XLogP0.60
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-6-fluoro-N-methylpyrimidin-4-amine?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-6-fluoro-N-methylpyrimidin-4-amine (CID 145047144) is 2-[2-(dimethylamino)ethoxy]-6-fluoro-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-6-fluoro-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-6-fluoro-N-methylpyrimidin-4-amine is CNc1cc(F)nc(OCCN(C)C)n1.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-6-fluoro-N-methylpyrimidin-4-amine?
The InChIKey is RBJYNPUUFYUIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4O/c1-11-8-6-7(10)12-9(13-8)15-5-4-14(2)3/h6H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 2-[2-(dimethylamino)ethoxy]-6-fluoro-N-methylpyrimidin-4-amine?
2-[2-(dimethylamino)ethoxy]-6-fluoro-N-methylpyrimidin-4-amine has a molecular weight of 214.24 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-6-fluoro-N-methylpyrimidin-4-amine is sourced from PubChem (CID 145047144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).