ethyl 6-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]hexanoate

C15H24N4O5 — CID 16654012

IUPACethyl 6-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]hexanoate
SMILESCCOC(=O)CCCCCNC(=O)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C15H24N4O5/c1-4-24-10(20)8-6-5-7-9-17-13(21)11-12(16)18(2)15(23)19(3)14(11)22/h4-9,16H2,1-3H3,(H,17,21)
InChIKeyHJFBDPDFUIIZHP-UHFFFAOYSA-N
MW340.38 g/mol
LogP-0.48
Rot. Bonds8

About ethyl 6-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]hexanoate

ethyl 6-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]hexanoate (PubChem CID 16654012) has the molecular formula C15H24N4O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is ethyl 6-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]hexanoate.

Molecular Properties

Compound Nameethyl 6-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]hexanoate
PubChem CID16654012
Molecular FormulaC15H24N4O5
Molecular Weight340.38 g/mol
Exact Mass340.17
IUPAC Nameethyl 6-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]hexanoate
SMILESCCOC(=O)CCCCCNC(=O)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C15H24N4O5/c1-4-24-10(20)8-6-5-7-9-17-13(21)11-12(16)18(2)15(23)19(3)14(11)22/h4-9,16H2,1-3H3,(H,17,21)
InChIKeyHJFBDPDFUIIZHP-UHFFFAOYSA-N
XLogP-0.48
TPSA125.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]hexanoate?
The IUPAC name of ethyl 6-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]hexanoate (CID 16654012) is ethyl 6-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]hexanoate.
What is the SMILES notation for ethyl 6-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]hexanoate?
The canonical SMILES for ethyl 6-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]hexanoate is CCOC(=O)CCCCCNC(=O)c1c(N)n(C)c(=O)n(C)c1=O.
What is the InChIKey of ethyl 6-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]hexanoate?
The InChIKey is HJFBDPDFUIIZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O5/c1-4-24-10(20)8-6-5-7-9-17-13(21)11-12(16)18(2)15(23)19(3)14(11)22/h4-9,16H2,1-3H3,(H,17,21).
What are the key properties of ethyl 6-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]hexanoate?
ethyl 6-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]hexanoate has a molecular weight of 340.38 g/mol, XLogP of -0.48, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]hexanoate is sourced from PubChem (CID 16654012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).