1-[2-methyl-3-[(Z)-3-methylbut-1-enyl]imidazol-4-yl]-1,3-diazinane-2,4-dione

C13H18N4O2 — CID 156860589

IUPAC1-[2-methyl-3-[(Z)-3-methylbut-1-enyl]imidazol-4-yl]-1,3-diazinane-2,4-dione
SMILESCc1ncc(N2CCC(=O)NC2=O)n1/C=C\C(C)C
InChIInChI=1S/C13H18N4O2/c1-9(2)4-6-16-10(3)14-8-12(16)17-7-5-11(18)15-13(17)19/h4,6,8-9H,5,7H2,1-3H3,(H,15,18,19)/b6-4-
InChIKeyZZRGMJLKPKQMNS-XQRVVYSFSA-N
MW262.31 g/mol
LogP1.76
Rot. Bonds3

About 1-[2-methyl-3-[(Z)-3-methylbut-1-enyl]imidazol-4-yl]-1,3-diazinane-2,4-dione

1-[2-methyl-3-[(Z)-3-methylbut-1-enyl]imidazol-4-yl]-1,3-diazinane-2,4-dione (PubChem CID 156860589) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[2-methyl-3-[(Z)-3-methylbut-1-enyl]imidazol-4-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[2-methyl-3-[(Z)-3-methylbut-1-enyl]imidazol-4-yl]-1,3-diazinane-2,4-dione
PubChem CID156860589
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name1-[2-methyl-3-[(Z)-3-methylbut-1-enyl]imidazol-4-yl]-1,3-diazinane-2,4-dione
SMILESCc1ncc(N2CCC(=O)NC2=O)n1/C=C\C(C)C
InChIInChI=1S/C13H18N4O2/c1-9(2)4-6-16-10(3)14-8-12(16)17-7-5-11(18)15-13(17)19/h4,6,8-9H,5,7H2,1-3H3,(H,15,18,19)/b6-4-
InChIKeyZZRGMJLKPKQMNS-XQRVVYSFSA-N
XLogP1.76
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-methyl-3-[(Z)-3-methylbut-1-enyl]imidazol-4-yl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

1-(8-methylimidazo[1,2-a]pyridin-3-yl)-1,3-diazinane-2,4-dione;propane
CID 156861037
1-(2-methyl-5-propan-2-yl-3-pyridinyl)-1,3-diazinane-2,4-dione
CID 176558358
1-(6-propan-2-yl-1,2,4-triazin-3-yl)-1,3-diazinane-2,4-dione
CID 177160752
1-pyrimidin-2-yl-1,3-diazinane-2,4-dione
CID 70200878
1-[2-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione
CID 178141115
ethane;1-(8-ethylimidazo[1,2-a]pyridin-3-yl)-1,3-diazinane-2,4-dione
CID 156795368
1-[7-(2-aminopropyl)imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
CID 174183211
1-(6-propan-2-ylpyridazin-4-yl)-1,3-diazinane-2,4-dione
CID 168752423
1-[5-[4-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-1,3-diazinane-2,4-dione
CID 178116601
1-(7-propan-2-yl-3H-benzimidazol-4-yl)-1,3-diazinane-2,4-dione
CID 167282385
1-[1-(4-propan-2-ylphenyl)triazol-4-yl]-1,3-diazinane-2,4-dione
CID 177356043
1-(2-methyl-3-propan-2-ylphenyl)-1,3-diazinane-2,4-dione
CID 170954148

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3-[(Z)-3-methylbut-1-enyl]imidazol-4-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[2-methyl-3-[(Z)-3-methylbut-1-enyl]imidazol-4-yl]-1,3-diazinane-2,4-dione (CID 156860589) is 1-[2-methyl-3-[(Z)-3-methylbut-1-enyl]imidazol-4-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[2-methyl-3-[(Z)-3-methylbut-1-enyl]imidazol-4-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[2-methyl-3-[(Z)-3-methylbut-1-enyl]imidazol-4-yl]-1,3-diazinane-2,4-dione is Cc1ncc(N2CCC(=O)NC2=O)n1/C=C\C(C)C.
What is the InChIKey of 1-[2-methyl-3-[(Z)-3-methylbut-1-enyl]imidazol-4-yl]-1,3-diazinane-2,4-dione?
The InChIKey is ZZRGMJLKPKQMNS-XQRVVYSFSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9(2)4-6-16-10(3)14-8-12(16)17-7-5-11(18)15-13(17)19/h4,6,8-9H,5,7H2,1-3H3,(H,15,18,19)/b6-4-.
What are the key properties of 1-[2-methyl-3-[(Z)-3-methylbut-1-enyl]imidazol-4-yl]-1,3-diazinane-2,4-dione?
1-[2-methyl-3-[(Z)-3-methylbut-1-enyl]imidazol-4-yl]-1,3-diazinane-2,4-dione has a molecular weight of 262.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-3-[(Z)-3-methylbut-1-enyl]imidazol-4-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 156860589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).