ethyl 2-[(5-fluoropyrimidin-2-yl)-propan-2-ylamino]acetate

C11H16FN3O2 — CID 104606558

IUPACethyl 2-[(5-fluoropyrimidin-2-yl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(c1ncc(F)cn1)C(C)C
InChIInChI=1S/C11H16FN3O2/c1-4-17-10(16)7-15(8(2)3)11-13-5-9(12)6-14-11/h5-6,8H,4,7H2,1-3H3
InChIKeyIKUHSFQFDAPPPU-UHFFFAOYSA-N
MW241.27 g/mol
LogP1.39
Rot. Bonds5

About ethyl 2-[(5-fluoropyrimidin-2-yl)-propan-2-ylamino]acetate

ethyl 2-[(5-fluoropyrimidin-2-yl)-propan-2-ylamino]acetate (PubChem CID 104606558) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is ethyl 2-[(5-fluoropyrimidin-2-yl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-fluoropyrimidin-2-yl)-propan-2-ylamino]acetate
PubChem CID104606558
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC Nameethyl 2-[(5-fluoropyrimidin-2-yl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(c1ncc(F)cn1)C(C)C
InChIInChI=1S/C11H16FN3O2/c1-4-17-10(16)7-15(8(2)3)11-13-5-9(12)6-14-11/h5-6,8H,4,7H2,1-3H3
InChIKeyIKUHSFQFDAPPPU-UHFFFAOYSA-N
XLogP1.39
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 114789698
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ethyl 2-[(3-bromo-4-pyridinyl)-propan-2-ylamino]acetate
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ethyl 2-[propan-2-yl(pyridazin-3-yl)amino]acetate
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ethyl 2-[(3-methylquinoxalin-2-yl)-propan-2-ylamino]acetate
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ethyl 2-[(4-carbamothioyl-2-pyridinyl)-propan-2-ylamino]acetate
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ethyl 2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetate
CID 58333113
ethyl 2-[imidazo[1,2-a]pyridin-5-yl(propan-2-yl)amino]acetate
CID 102626836
ethyl 2-[propan-2-yl(pyrazine-2-carbonyl)amino]acetate
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ethyl 2-(3-bromo-4-carbamothioyl-2-fluoro-N-propan-2-ylanilino)acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-fluoropyrimidin-2-yl)-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(5-fluoropyrimidin-2-yl)-propan-2-ylamino]acetate (CID 104606558) is ethyl 2-[(5-fluoropyrimidin-2-yl)-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-fluoropyrimidin-2-yl)-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(5-fluoropyrimidin-2-yl)-propan-2-ylamino]acetate is CCOC(=O)CN(c1ncc(F)cn1)C(C)C.
What is the InChIKey of ethyl 2-[(5-fluoropyrimidin-2-yl)-propan-2-ylamino]acetate?
The InChIKey is IKUHSFQFDAPPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c1-4-17-10(16)7-15(8(2)3)11-13-5-9(12)6-14-11/h5-6,8H,4,7H2,1-3H3.
What are the key properties of ethyl 2-[(5-fluoropyrimidin-2-yl)-propan-2-ylamino]acetate?
ethyl 2-[(5-fluoropyrimidin-2-yl)-propan-2-ylamino]acetate has a molecular weight of 241.27 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-fluoropyrimidin-2-yl)-propan-2-ylamino]acetate is sourced from PubChem (CID 104606558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).