3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione

C16H22N4O3 — CID 167933660

IUPAC3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione
SMILESCC1CCC(O)(CN2C(=O)NC(C)(c3cnccn3)C2=O)CC1
InChIInChI=1S/C16H22N4O3/c1-11-3-5-16(23,6-4-11)10-20-13(21)15(2,19-14(20)22)12-9-17-7-8-18-12/h7-9,11,23H,3-6,10H2,1-2H3,(H,19,22)
InChIKeyWQUHRPBPILAPTE-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.18
Rot. Bonds3

About 3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione

3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione (PubChem CID 167933660) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione
PubChem CID167933660
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione
SMILESCC1CCC(O)(CN2C(=O)NC(C)(c3cnccn3)C2=O)CC1
InChIInChI=1S/C16H22N4O3/c1-11-3-5-16(23,6-4-11)10-20-13(21)15(2,19-14(20)22)12-9-17-7-8-18-12/h7-9,11,23H,3-6,10H2,1-2H3,(H,19,22)
InChIKeyWQUHRPBPILAPTE-UHFFFAOYSA-N
XLogP1.18
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(furan-2-yl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylimidazolidine-2,4-dione
CID 111476351
(5R)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 99717500
3-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione
CID 138992176
1-[(1-hydroxy-4-methylcyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione
CID 65121939
3-[2-(1,2-benzoxazol-3-yl)ethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione
CID 167796115
(5R)-3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione
CID 124624577
4-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 65121315
(5R)-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione
CID 88974012
1-(imidazol-1-ylmethyl)-4-methylcyclohexan-1-ol
CID 59088177
1-[(1-hydroxy-4-methylcyclohexyl)methyl]-1,3-diazinan-2-one
CID 115371207
7-[(1-hydroxycyclohexyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 110921685
4-methyl-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol
CID 75432641

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione (CID 167933660) is 3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione is CC1CCC(O)(CN2C(=O)NC(C)(c3cnccn3)C2=O)CC1.
What is the InChIKey of 3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione?
The InChIKey is WQUHRPBPILAPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-11-3-5-16(23,6-4-11)10-20-13(21)15(2,19-14(20)22)12-9-17-7-8-18-12/h7-9,11,23H,3-6,10H2,1-2H3,(H,19,22).
What are the key properties of 3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione?
3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione has a molecular weight of 318.38 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methyl-5-pyrazin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 167933660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).