5-ethyl-5-[1-(2-methoxypyrimidine-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

C16H21N5O4 — CID 56721489

IUPAC5-ethyl-5-[1-(2-methoxypyrimidine-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCCC1(C2CCN(C(=O)c3cnc(OC)nc3)CC2)NC(=O)NC1=O
InChIInChI=1S/C16H21N5O4/c1-3-16(13(23)19-14(24)20-16)11-4-6-21(7-5-11)12(22)10-8-17-15(25-2)18-9-10/h8-9,11H,3-7H2,1-2H3,(H2,19,20,23,24)
InChIKeySRUCHXPQRVXZCS-UHFFFAOYSA-N
MW347.38 g/mol
LogP0.33
Rot. Bonds4

About 5-ethyl-5-[1-(2-methoxypyrimidine-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

5-ethyl-5-[1-(2-methoxypyrimidine-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 56721489) has the molecular formula C16H21N5O4 and a molecular weight of 347.38 g/mol. Its IUPAC name is 5-ethyl-5-[1-(2-methoxypyrimidine-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-5-[1-(2-methoxypyrimidine-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID56721489
Molecular FormulaC16H21N5O4
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC Name5-ethyl-5-[1-(2-methoxypyrimidine-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCCC1(C2CCN(C(=O)c3cnc(OC)nc3)CC2)NC(=O)NC1=O
InChIInChI=1S/C16H21N5O4/c1-3-16(13(23)19-14(24)20-16)11-4-6-21(7-5-11)12(22)10-8-17-15(25-2)18-9-10/h8-9,11H,3-7H2,1-2H3,(H2,19,20,23,24)
InChIKeySRUCHXPQRVXZCS-UHFFFAOYSA-N
XLogP0.33
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-[1-(2-methoxypyrimidine-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-5-[1-(2-methoxypyrimidine-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 56721489) is 5-ethyl-5-[1-(2-methoxypyrimidine-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-5-[1-(2-methoxypyrimidine-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-5-[1-(2-methoxypyrimidine-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is CCC1(C2CCN(C(=O)c3cnc(OC)nc3)CC2)NC(=O)NC1=O.
What is the InChIKey of 5-ethyl-5-[1-(2-methoxypyrimidine-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is SRUCHXPQRVXZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4/c1-3-16(13(23)19-14(24)20-16)11-4-6-21(7-5-11)12(22)10-8-17-15(25-2)18-9-10/h8-9,11H,3-7H2,1-2H3,(H2,19,20,23,24).
What are the key properties of 5-ethyl-5-[1-(2-methoxypyrimidine-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
5-ethyl-5-[1-(2-methoxypyrimidine-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 347.38 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-[1-(2-methoxypyrimidine-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 56721489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).