ethyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-4-methylpentanoate

C15H23N3O5 — CID 3405827

IUPACethyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-4-methylpentanoate
SMILESCCOC(=O)C(CC(C)C)NC(=O)c1cc(OC)nc(OC)n1
InChIInChI=1S/C15H23N3O5/c1-6-23-14(20)11(7-9(2)3)16-13(19)10-8-12(21-4)18-15(17-10)22-5/h8-9,11H,6-7H2,1-5H3,(H,16,19)
InChIKeyCSLAVQWJYQHMGH-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.20
Rot. Bonds8

About ethyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-4-methylpentanoate

ethyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-4-methylpentanoate (PubChem CID 3405827) has the molecular formula C15H23N3O5 and a molecular weight of 325.37 g/mol. Its IUPAC name is ethyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-4-methylpentanoate
PubChem CID3405827
Molecular FormulaC15H23N3O5
Molecular Weight325.37 g/mol
Exact Mass325.16
IUPAC Nameethyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-4-methylpentanoate
SMILESCCOC(=O)C(CC(C)C)NC(=O)c1cc(OC)nc(OC)n1
InChIInChI=1S/C15H23N3O5/c1-6-23-14(20)11(7-9(2)3)16-13(19)10-8-12(21-4)18-15(17-10)22-5/h8-9,11H,6-7H2,1-5H3,(H,16,19)
InChIKeyCSLAVQWJYQHMGH-UHFFFAOYSA-N
XLogP1.20
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-4-methylpentanoate?
The IUPAC name of ethyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-4-methylpentanoate (CID 3405827) is ethyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-4-methylpentanoate.
What is the SMILES notation for ethyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-4-methylpentanoate?
The canonical SMILES for ethyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-4-methylpentanoate is CCOC(=O)C(CC(C)C)NC(=O)c1cc(OC)nc(OC)n1.
What is the InChIKey of ethyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-4-methylpentanoate?
The InChIKey is CSLAVQWJYQHMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5/c1-6-23-14(20)11(7-9(2)3)16-13(19)10-8-12(21-4)18-15(17-10)22-5/h8-9,11H,6-7H2,1-5H3,(H,16,19).
What are the key properties of ethyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-4-methylpentanoate?
ethyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-4-methylpentanoate has a molecular weight of 325.37 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-4-methylpentanoate is sourced from PubChem (CID 3405827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).