1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-3-cyclopentylimidazolidine-2,4,5-trione

C16H19N5O6 — CID 4843745

IUPAC1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-3-cyclopentylimidazolidine-2,4,5-trione
SMILESCn1c(N)c(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c(=O)n(C)c1=O
InChIInChI=1S/C16H19N5O6/c1-18-11(17)10(12(23)19(2)15(18)26)9(22)7-20-13(24)14(25)21(16(20)27)8-5-3-4-6-8/h8H,3-7,17H2,1-2H3
InChIKeyMDZBYVTVXPQZPY-UHFFFAOYSA-N
MW377.36 g/mol
LogP-1.42
Rot. Bonds4

About 1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-3-cyclopentylimidazolidine-2,4,5-trione

1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-3-cyclopentylimidazolidine-2,4,5-trione (PubChem CID 4843745) has the molecular formula C16H19N5O6 and a molecular weight of 377.36 g/mol. Its IUPAC name is 1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-3-cyclopentylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-3-cyclopentylimidazolidine-2,4,5-trione
PubChem CID4843745
Molecular FormulaC16H19N5O6
Molecular Weight377.36 g/mol
Exact Mass377.13
IUPAC Name1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-3-cyclopentylimidazolidine-2,4,5-trione
SMILESCn1c(N)c(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c(=O)n(C)c1=O
InChIInChI=1S/C16H19N5O6/c1-18-11(17)10(12(23)19(2)15(18)26)9(22)7-20-13(24)14(25)21(16(20)27)8-5-3-4-6-8/h8H,3-7,17H2,1-2H3
InChIKeyMDZBYVTVXPQZPY-UHFFFAOYSA-N
XLogP-1.42
TPSA144.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 5-1.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-3-cyclopentylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-3-cyclopentylimidazolidine-2,4,5-trione (CID 4843745) is 1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-3-cyclopentylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-3-cyclopentylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-3-cyclopentylimidazolidine-2,4,5-trione is Cn1c(N)c(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c(=O)n(C)c1=O.
What is the InChIKey of 1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-3-cyclopentylimidazolidine-2,4,5-trione?
The InChIKey is MDZBYVTVXPQZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O6/c1-18-11(17)10(12(23)19(2)15(18)26)9(22)7-20-13(24)14(25)21(16(20)27)8-5-3-4-6-8/h8H,3-7,17H2,1-2H3.
What are the key properties of 1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-3-cyclopentylimidazolidine-2,4,5-trione?
1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-3-cyclopentylimidazolidine-2,4,5-trione has a molecular weight of 377.36 g/mol, XLogP of -1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-3-cyclopentylimidazolidine-2,4,5-trione is sourced from PubChem (CID 4843745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).