propan-2-yl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]propanoate

C13H20FN3O2 — CID 133420419

IUPACpropan-2-yl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]propanoate
SMILESCCc1ncnc(N(C)C(C)C(=O)OC(C)C)c1F
InChIInChI=1S/C13H20FN3O2/c1-6-10-11(14)12(16-7-15-10)17(5)9(4)13(18)19-8(2)3/h7-9H,6H2,1-5H3
InChIKeyKUZTVMPFCRPFGX-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.95
Rot. Bonds5

About propan-2-yl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]propanoate

propan-2-yl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]propanoate (PubChem CID 133420419) has the molecular formula C13H20FN3O2 and a molecular weight of 269.32 g/mol. Its IUPAC name is propan-2-yl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]propanoate
PubChem CID133420419
Molecular FormulaC13H20FN3O2
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC Namepropan-2-yl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]propanoate
SMILESCCc1ncnc(N(C)C(C)C(=O)OC(C)C)c1F
InChIInChI=1S/C13H20FN3O2/c1-6-10-11(14)12(16-7-15-10)17(5)9(4)13(18)19-8(2)3/h7-9H,6H2,1-5H3
InChIKeyKUZTVMPFCRPFGX-UHFFFAOYSA-N
XLogP1.95
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]propanoate?
The IUPAC name of propan-2-yl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]propanoate (CID 133420419) is propan-2-yl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]propanoate.
What is the SMILES notation for propan-2-yl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]propanoate?
The canonical SMILES for propan-2-yl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]propanoate is CCc1ncnc(N(C)C(C)C(=O)OC(C)C)c1F.
What is the InChIKey of propan-2-yl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]propanoate?
The InChIKey is KUZTVMPFCRPFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2/c1-6-10-11(14)12(16-7-15-10)17(5)9(4)13(18)19-8(2)3/h7-9H,6H2,1-5H3.
What are the key properties of propan-2-yl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]propanoate?
propan-2-yl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]propanoate has a molecular weight of 269.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]propanoate is sourced from PubChem (CID 133420419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).