1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione

C20H23N5O2 — CID 163356602

IUPAC1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
SMILESCc1cc(C)nc(N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)n1
InChIInChI=1S/C20H23N5O2/c1-14-12-15(2)22-19(21-14)23-10-8-16(9-11-23)24-13-18(26)25(20(24)27)17-6-4-3-5-7-17/h3-7,12,16H,8-11,13H2,1-2H3
InChIKeyCDLPMHMOAHYBMK-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.53
Rot. Bonds3

About 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione

1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione (PubChem CID 163356602) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
PubChem CID163356602
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
SMILESCc1cc(C)nc(N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)n1
InChIInChI=1S/C20H23N5O2/c1-14-12-15(2)22-19(21-14)23-10-8-16(9-11-23)24-13-18(26)25(20(24)27)17-6-4-3-5-7-17/h3-7,12,16H,8-11,13H2,1-2H3
InChIKeyCDLPMHMOAHYBMK-UHFFFAOYSA-N
XLogP2.53
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione?
The IUPAC name of 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione (CID 163356602) is 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione?
The canonical SMILES for 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione is Cc1cc(C)nc(N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)n1.
What is the InChIKey of 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione?
The InChIKey is CDLPMHMOAHYBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14-12-15(2)22-19(21-14)23-10-8-16(9-11-23)24-13-18(26)25(20(24)27)17-6-4-3-5-7-17/h3-7,12,16H,8-11,13H2,1-2H3.
What are the key properties of 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione?
1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione has a molecular weight of 365.44 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 163356602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).