tert-butyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]acetate

C13H19N3O5 — CID 3389711

IUPACtert-butyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]acetate
SMILESCOc1cc(C(=O)NCC(=O)OC(C)(C)C)nc(OC)n1
InChIInChI=1S/C13H19N3O5/c1-13(2,3)21-10(17)7-14-11(18)8-6-9(19-4)16-12(15-8)20-5/h6H,7H2,1-5H3,(H,14,18)
InChIKeyCBMJQPBDLHQMGR-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.57
Rot. Bonds5

About tert-butyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]acetate

tert-butyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]acetate (PubChem CID 3389711) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is tert-butyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]acetate
PubChem CID3389711
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Nametert-butyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]acetate
SMILESCOc1cc(C(=O)NCC(=O)OC(C)(C)C)nc(OC)n1
InChIInChI=1S/C13H19N3O5/c1-13(2,3)21-10(17)7-14-11(18)8-6-9(19-4)16-12(15-8)20-5/h6H,7H2,1-5H3,(H,14,18)
InChIKeyCBMJQPBDLHQMGR-UHFFFAOYSA-N
XLogP0.57
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]acetate?
The IUPAC name of tert-butyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]acetate (CID 3389711) is tert-butyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]acetate is COc1cc(C(=O)NCC(=O)OC(C)(C)C)nc(OC)n1.
What is the InChIKey of tert-butyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]acetate?
The InChIKey is CBMJQPBDLHQMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-13(2,3)21-10(17)7-14-11(18)8-6-9(19-4)16-12(15-8)20-5/h6H,7H2,1-5H3,(H,14,18).
What are the key properties of tert-butyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]acetate?
tert-butyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]acetate has a molecular weight of 297.31 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]acetate is sourced from PubChem (CID 3389711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).