5-[4-[[(6-cyclohexylpyrimidin-4-yl)amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione

C21H25N5O2 — CID 166330094

IUPAC5-[4-[[(6-cyclohexylpyrimidin-4-yl)amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(CNc3cc(C4CCCCC4)ncn3)cc2)NC(=O)NC1=O
InChIInChI=1S/C21H25N5O2/c1-21(19(27)25-20(28)26-21)16-9-7-14(8-10-16)12-22-18-11-17(23-13-24-18)15-5-3-2-4-6-15/h7-11,13,15H,2-6,12H2,1H3,(H,22,23,24)(H2,25,26,27,28)
InChIKeyFDVQDILCEYGZGT-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.19
Rot. Bonds5

About 5-[4-[[(6-cyclohexylpyrimidin-4-yl)amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione

5-[4-[[(6-cyclohexylpyrimidin-4-yl)amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 166330094) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-[4-[[(6-cyclohexylpyrimidin-4-yl)amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-[[(6-cyclohexylpyrimidin-4-yl)amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione
PubChem CID166330094
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name5-[4-[[(6-cyclohexylpyrimidin-4-yl)amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(CNc3cc(C4CCCCC4)ncn3)cc2)NC(=O)NC1=O
InChIInChI=1S/C21H25N5O2/c1-21(19(27)25-20(28)26-21)16-9-7-14(8-10-16)12-22-18-11-17(23-13-24-18)15-5-3-2-4-6-15/h7-11,13,15H,2-6,12H2,1H3,(H,22,23,24)(H2,25,26,27,28)
InChIKeyFDVQDILCEYGZGT-UHFFFAOYSA-N
XLogP3.19
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.19
H-Bond Donors ≤ 53
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 5-[4-[[(6-cyclohexylpyrimidin-4-yl)amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[4-[[(6-cyclohexylpyrimidin-4-yl)amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione (CID 166330094) is 5-[4-[[(6-cyclohexylpyrimidin-4-yl)amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-[[(6-cyclohexylpyrimidin-4-yl)amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[4-[[(6-cyclohexylpyrimidin-4-yl)amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione is CC1(c2ccc(CNc3cc(C4CCCCC4)ncn3)cc2)NC(=O)NC1=O.
What is the InChIKey of 5-[4-[[(6-cyclohexylpyrimidin-4-yl)amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is FDVQDILCEYGZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-21(19(27)25-20(28)26-21)16-9-7-14(8-10-16)12-22-18-11-17(23-13-24-18)15-5-3-2-4-6-15/h7-11,13,15H,2-6,12H2,1H3,(H,22,23,24)(H2,25,26,27,28).
What are the key properties of 5-[4-[[(6-cyclohexylpyrimidin-4-yl)amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione?
5-[4-[[(6-cyclohexylpyrimidin-4-yl)amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 379.46 g/mol, XLogP of 3.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[(6-cyclohexylpyrimidin-4-yl)amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 166330094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).