methyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoate

C10H14FN3O2 — CID 103879743

IUPACmethyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoate
SMILESCCc1ncnc(NCCC(=O)OC)c1F
InChIInChI=1S/C10H14FN3O2/c1-3-7-9(11)10(14-6-13-7)12-5-4-8(15)16-2/h6H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyKRNSLRGEQVEHIJ-UHFFFAOYSA-N
MW227.24 g/mol
LogP1.15
Rot. Bonds5

About methyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoate

methyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoate (PubChem CID 103879743) has the molecular formula C10H14FN3O2 and a molecular weight of 227.24 g/mol. Its IUPAC name is methyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoate
PubChem CID103879743
Molecular FormulaC10H14FN3O2
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Namemethyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoate
SMILESCCc1ncnc(NCCC(=O)OC)c1F
InChIInChI=1S/C10H14FN3O2/c1-3-7-9(11)10(14-6-13-7)12-5-4-8(15)16-2/h6H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyKRNSLRGEQVEHIJ-UHFFFAOYSA-N
XLogP1.15
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[Ethyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide
CID 100690449
6-ethyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine
CID 90249316
Ethyl 3-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propanoate
CID 130254194
ethyl (2S,3S)-3-[[2-chloro-5-fluoro-6-(2-fluorocyclopropyl)pyrimidin-4-yl]amino]-2-methylbutanoate
CID 156052461
2-(4-Ethyl-5-fluoropyrimidin-2-yl)acetic acid
CID 84039174
N1-(6-Ethyl-5-fluoropyrimidin-4-yl)ethane-1,2-diamine
CID 84039181
N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide
CID 84597127
N-(3-ethoxycyclobutyl)-6-ethyl-5-fluoropyrimidin-4-amine
CID 102609299
6-ethyl-5-fluoro-N-(2-methoxypropyl)pyrimidin-4-amine
CID 102809658
N-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 103081341
Methyl 3-[ethyl-(5-fluoro-6-methylpyrimidin-4-yl)amino]propanoate
CID 103794410
Ethyl 3-[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]propanoate
CID 103794470

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoate?
The IUPAC name of methyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoate (CID 103879743) is methyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoate?
The canonical SMILES for methyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoate is CCc1ncnc(NCCC(=O)OC)c1F.
What is the InChIKey of methyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoate?
The InChIKey is KRNSLRGEQVEHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2/c1-3-7-9(11)10(14-6-13-7)12-5-4-8(15)16-2/h6H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of methyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoate?
methyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoate has a molecular weight of 227.24 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 103879743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).