methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-methylpentanoate

C13H20FN3O2 — CID 113344358

IUPACmethyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-methylpentanoate
SMILESCCc1ncnc(NC(CC(C)C)C(=O)OC)c1F
InChIInChI=1S/C13H20FN3O2/c1-5-9-11(14)12(16-7-15-9)17-10(6-8(2)3)13(18)19-4/h7-8,10H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyZUZRMGXGRCQITH-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.18
Rot. Bonds6

About methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-methylpentanoate

methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-methylpentanoate (PubChem CID 113344358) has the molecular formula C13H20FN3O2 and a molecular weight of 269.32 g/mol. Its IUPAC name is methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-methylpentanoate
PubChem CID113344358
Molecular FormulaC13H20FN3O2
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC Namemethyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-methylpentanoate
SMILESCCc1ncnc(NC(CC(C)C)C(=O)OC)c1F
InChIInChI=1S/C13H20FN3O2/c1-5-9-11(14)12(16-7-15-9)17-10(6-8(2)3)13(18)19-4/h7-8,10H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyZUZRMGXGRCQITH-UHFFFAOYSA-N
XLogP2.18
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-methylpentanoate (CID 113344358) is methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-methylpentanoate is CCc1ncnc(NC(CC(C)C)C(=O)OC)c1F.
What is the InChIKey of methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-methylpentanoate?
The InChIKey is ZUZRMGXGRCQITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2/c1-5-9-11(14)12(16-7-15-9)17-10(6-8(2)3)13(18)19-4/h7-8,10H,5-6H2,1-4H3,(H,15,16,17).
What are the key properties of methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-methylpentanoate?
methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-methylpentanoate has a molecular weight of 269.32 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-methylpentanoate is sourced from PubChem (CID 113344358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).