N-ethyl-2-[(5-fluoropyrimidin-2-yl)amino]-N-methylacetamide

C9H13FN4O — CID 104925826

IUPACN-ethyl-2-[(5-fluoropyrimidin-2-yl)amino]-N-methylacetamide
SMILESCCN(C)C(=O)CNc1ncc(F)cn1
InChIInChI=1S/C9H13FN4O/c1-3-14(2)8(15)6-13-9-11-4-7(10)5-12-9/h4-5H,3,6H2,1-2H3,(H,11,12,13)
InChIKeyCFOINYPCEBNETF-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.51
Rot. Bonds4

About N-ethyl-2-[(5-fluoropyrimidin-2-yl)amino]-N-methylacetamide

N-ethyl-2-[(5-fluoropyrimidin-2-yl)amino]-N-methylacetamide (PubChem CID 104925826) has the molecular formula C9H13FN4O and a molecular weight of 212.23 g/mol. Its IUPAC name is N-ethyl-2-[(5-fluoropyrimidin-2-yl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[(5-fluoropyrimidin-2-yl)amino]-N-methylacetamide
PubChem CID104925826
Molecular FormulaC9H13FN4O
Molecular Weight212.23 g/mol
Exact Mass212.11
IUPAC NameN-ethyl-2-[(5-fluoropyrimidin-2-yl)amino]-N-methylacetamide
SMILESCCN(C)C(=O)CNc1ncc(F)cn1
InChIInChI=1S/C9H13FN4O/c1-3-14(2)8(15)6-13-9-11-4-7(10)5-12-9/h4-5H,3,6H2,1-2H3,(H,11,12,13)
InChIKeyCFOINYPCEBNETF-UHFFFAOYSA-N
XLogP0.51
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5-fluoropyrimidin-2-yl)amino]-N-methylacetamide?
The IUPAC name of N-ethyl-2-[(5-fluoropyrimidin-2-yl)amino]-N-methylacetamide (CID 104925826) is N-ethyl-2-[(5-fluoropyrimidin-2-yl)amino]-N-methylacetamide.
What is the SMILES notation for N-ethyl-2-[(5-fluoropyrimidin-2-yl)amino]-N-methylacetamide?
The canonical SMILES for N-ethyl-2-[(5-fluoropyrimidin-2-yl)amino]-N-methylacetamide is CCN(C)C(=O)CNc1ncc(F)cn1.
What is the InChIKey of N-ethyl-2-[(5-fluoropyrimidin-2-yl)amino]-N-methylacetamide?
The InChIKey is CFOINYPCEBNETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4O/c1-3-14(2)8(15)6-13-9-11-4-7(10)5-12-9/h4-5H,3,6H2,1-2H3,(H,11,12,13).
What are the key properties of N-ethyl-2-[(5-fluoropyrimidin-2-yl)amino]-N-methylacetamide?
N-ethyl-2-[(5-fluoropyrimidin-2-yl)amino]-N-methylacetamide has a molecular weight of 212.23 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5-fluoropyrimidin-2-yl)amino]-N-methylacetamide is sourced from PubChem (CID 104925826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).