1-[[(4S)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-methylpyrimidine-2,4-dione

C15H20N4O4 — CID 56774431

IUPAC1-[[(4S)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C[C@@H]2NC(=O)N(C3CCCCC3)C2=O)c(=O)[nH]c1=O
InChIInChI=1S/C15H20N4O4/c1-9-7-18(14(22)17-12(9)20)8-11-13(21)19(15(23)16-11)10-5-3-2-4-6-10/h7,10-11H,2-6,8H2,1H3,(H,16,23)(H,17,20,22)/t11-/m0/s1
InChIKeyBSNPHGYOYUCFQN-NSHDSACASA-N
MW320.35 g/mol
LogP0.10
Rot. Bonds3

About 1-[[(4S)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-methylpyrimidine-2,4-dione

1-[[(4S)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-methylpyrimidine-2,4-dione (PubChem CID 56774431) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-[[(4S)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[[(4S)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-methylpyrimidine-2,4-dione
PubChem CID56774431
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name1-[[(4S)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C[C@@H]2NC(=O)N(C3CCCCC3)C2=O)c(=O)[nH]c1=O
InChIInChI=1S/C15H20N4O4/c1-9-7-18(14(22)17-12(9)20)8-11-13(21)19(15(23)16-11)10-5-3-2-4-6-10/h7,10-11H,2-6,8H2,1H3,(H,16,23)(H,17,20,22)/t11-/m0/s1
InChIKeyBSNPHGYOYUCFQN-NSHDSACASA-N
XLogP0.10
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.10
H-Bond Donors ≤ 52
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-[[(4S)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[[(4S)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-methylpyrimidine-2,4-dione (CID 56774431) is 1-[[(4S)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[[(4S)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[[(4S)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-methylpyrimidine-2,4-dione is Cc1cn(C[C@@H]2NC(=O)N(C3CCCCC3)C2=O)c(=O)[nH]c1=O.
What is the InChIKey of 1-[[(4S)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is BSNPHGYOYUCFQN-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N4O4/c1-9-7-18(14(22)17-12(9)20)8-11-13(21)19(15(23)16-11)10-5-3-2-4-6-10/h7,10-11H,2-6,8H2,1H3,(H,16,23)(H,17,20,22)/t11-/m0/s1.
What are the key properties of 1-[[(4S)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-methylpyrimidine-2,4-dione?
1-[[(4S)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 320.35 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4S)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]methyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 56774431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).