2-[2-(dimethylamino)ethoxy]-6-fluoropyrimidin-4-amine

C8H13FN4O — CID 118936805

IUPAC2-[2-(dimethylamino)ethoxy]-6-fluoropyrimidin-4-amine
SMILESCN(C)CCOc1nc(N)cc(F)n1
InChIInChI=1S/C8H13FN4O/c1-13(2)3-4-14-8-11-6(9)5-7(10)12-8/h5H,3-4H2,1-2H3,(H2,10,11,12)
InChIKeyNFTNYEQPGPAENQ-UHFFFAOYSA-N
MW200.22 g/mol
LogP0.14
Rot. Bonds4

About 2-[2-(dimethylamino)ethoxy]-6-fluoropyrimidin-4-amine

2-[2-(dimethylamino)ethoxy]-6-fluoropyrimidin-4-amine (PubChem CID 118936805) has the molecular formula C8H13FN4O and a molecular weight of 200.22 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-6-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-6-fluoropyrimidin-4-amine
PubChem CID118936805
Molecular FormulaC8H13FN4O
Molecular Weight200.22 g/mol
Exact Mass200.11
IUPAC Name2-[2-(dimethylamino)ethoxy]-6-fluoropyrimidin-4-amine
SMILESCN(C)CCOc1nc(N)cc(F)n1
InChIInChI=1S/C8H13FN4O/c1-13(2)3-4-14-8-11-6(9)5-7(10)12-8/h5H,3-4H2,1-2H3,(H2,10,11,12)
InChIKeyNFTNYEQPGPAENQ-UHFFFAOYSA-N
XLogP0.14
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 50.14
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-fluoropyrimidin-4-amine?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-6-fluoropyrimidin-4-amine (CID 118936805) is 2-[2-(dimethylamino)ethoxy]-6-fluoropyrimidin-4-amine.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-6-fluoropyrimidin-4-amine?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-6-fluoropyrimidin-4-amine is CN(C)CCOc1nc(N)cc(F)n1.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-6-fluoropyrimidin-4-amine?
The InChIKey is NFTNYEQPGPAENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN4O/c1-13(2)3-4-14-8-11-6(9)5-7(10)12-8/h5H,3-4H2,1-2H3,(H2,10,11,12).
What are the key properties of 2-[2-(dimethylamino)ethoxy]-6-fluoropyrimidin-4-amine?
2-[2-(dimethylamino)ethoxy]-6-fluoropyrimidin-4-amine has a molecular weight of 200.22 g/mol, XLogP of 0.14, 4 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-fluoropyrimidin-4-amine is sourced from PubChem (CID 118936805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).