2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylacetamide

C11H17FN4O — CID 103879777

IUPAC2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylacetamide
SMILESCCc1ncnc(NCC(=O)NC(C)C)c1F
InChIInChI=1S/C11H17FN4O/c1-4-8-10(12)11(15-6-14-8)13-5-9(17)16-7(2)3/h6-7H,4-5H2,1-3H3,(H,16,17)(H,13,14,15)
InChIKeyDYGGDRBZMIDWQB-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.11
Rot. Bonds5

About 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylacetamide

2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylacetamide (PubChem CID 103879777) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylacetamide
PubChem CID103879777
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylacetamide
SMILESCCc1ncnc(NCC(=O)NC(C)C)c1F
InChIInChI=1S/C11H17FN4O/c1-4-8-10(12)11(15-6-14-8)13-5-9(17)16-7(2)3/h6-7H,4-5H2,1-3H3,(H,16,17)(H,13,14,15)
InChIKeyDYGGDRBZMIDWQB-UHFFFAOYSA-N
XLogP1.11
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylacetamide (CID 103879777) is 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylacetamide is CCc1ncnc(NCC(=O)NC(C)C)c1F.
What is the InChIKey of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
The InChIKey is DYGGDRBZMIDWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O/c1-4-8-10(12)11(15-6-14-8)13-5-9(17)16-7(2)3/h6-7H,4-5H2,1-3H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylacetamide has a molecular weight of 240.28 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 103879777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).