methyl 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl-(2-methoxy-2-oxoethyl)amino]acetate

C13H17N3O4 — CID 62957317

IUPACmethyl 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)c1ncnc2c1CCC2
InChIInChI=1S/C13H17N3O4/c1-19-11(17)6-16(7-12(18)20-2)13-9-4-3-5-10(9)14-8-15-13/h8H,3-7H2,1-2H3
InChIKeyOGQFVPMEWBQORU-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.12
Rot. Bonds5

About methyl 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 62957317) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is methyl 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID62957317
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Namemethyl 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)c1ncnc2c1CCC2
InChIInChI=1S/C13H17N3O4/c1-19-11(17)6-16(7-12(18)20-2)13-9-4-3-5-10(9)14-8-15-13/h8H,3-7H2,1-2H3
InChIKeyOGQFVPMEWBQORU-UHFFFAOYSA-N
XLogP0.12
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl-(2-methoxy-2-oxoethyl)amino]acetate (CID 62957317) is methyl 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)c1ncnc2c1CCC2.
What is the InChIKey of methyl 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is OGQFVPMEWBQORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-19-11(17)6-16(7-12(18)20-2)13-9-4-3-5-10(9)14-8-15-13/h8H,3-7H2,1-2H3.
What are the key properties of methyl 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 279.30 g/mol, XLogP of 0.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 62957317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).