3-cyclopropyl-1-[1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione

C20H25N5O4 — CID 126852924

IUPAC3-cyclopropyl-1-[1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESO=C(Cn1cnc(C2CC2)cc1=O)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1
InChIInChI=1S/C20H25N5O4/c26-17-9-16(13-1-2-13)21-12-23(17)10-18(27)22-7-5-14(6-8-22)24-11-19(28)25(20(24)29)15-3-4-15/h9,12-15H,1-8,10-11H2
InChIKeyPWSPQYQLFFTFIY-UHFFFAOYSA-N
MW399.45 g/mol
LogP0.54
Rot. Bonds5

About 3-cyclopropyl-1-[1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione

3-cyclopropyl-1-[1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 126852924) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-cyclopropyl-1-[1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-[1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID126852924
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Name3-cyclopropyl-1-[1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESO=C(Cn1cnc(C2CC2)cc1=O)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1
InChIInChI=1S/C20H25N5O4/c26-17-9-16(13-1-2-13)21-12-23(17)10-18(27)22-7-5-14(6-8-22)24-11-19(28)25(20(24)29)15-3-4-15/h9,12-15H,1-8,10-11H2
InChIKeyPWSPQYQLFFTFIY-UHFFFAOYSA-N
XLogP0.54
TPSA95.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 50.54
H-Bond Donors ≤ 50
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 3-cyclopropyl-1-[1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-cyclopropyl-1-[1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione (CID 126852924) is 3-cyclopropyl-1-[1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-cyclopropyl-1-[1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-cyclopropyl-1-[1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione is O=C(Cn1cnc(C2CC2)cc1=O)N1CCC(N2CC(=O)N(C3CC3)C2=O)CC1.
What is the InChIKey of 3-cyclopropyl-1-[1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is PWSPQYQLFFTFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c26-17-9-16(13-1-2-13)21-12-23(17)10-18(27)22-7-5-14(6-8-22)24-11-19(28)25(20(24)29)15-3-4-15/h9,12-15H,1-8,10-11H2.
What are the key properties of 3-cyclopropyl-1-[1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione?
3-cyclopropyl-1-[1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 399.45 g/mol, XLogP of 0.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 126852924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).