(6S)-6-(4-aminophenyl)-1,3-diazinane-2,4-dione

C10H11N3O2 — CID 730381

IUPAC(6S)-6-(4-aminophenyl)-1,3-diazinane-2,4-dione
SMILESNc1ccc([C@@H]2CC(=O)NC(=O)N2)cc1
InChIInChI=1S/C10H11N3O2/c11-7-3-1-6(2-4-7)8-5-9(14)13-10(15)12-8/h1-4,8H,5,11H2,(H2,12,13,14,15)/t8-/m0/s1
InChIKeyXRVGYXMTPUOWHQ-QMMMGPOBSA-N
MW205.22 g/mol
LogP0.54
Rot. Bonds1

About (6S)-6-(4-aminophenyl)-1,3-diazinane-2,4-dione

(6S)-6-(4-aminophenyl)-1,3-diazinane-2,4-dione (PubChem CID 730381) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is (6S)-6-(4-aminophenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(6S)-6-(4-aminophenyl)-1,3-diazinane-2,4-dione
PubChem CID730381
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name(6S)-6-(4-aminophenyl)-1,3-diazinane-2,4-dione
SMILESNc1ccc([C@@H]2CC(=O)NC(=O)N2)cc1
InChIInChI=1S/C10H11N3O2/c11-7-3-1-6(2-4-7)8-5-9(14)13-10(15)12-8/h1-4,8H,5,11H2,(H2,12,13,14,15)/t8-/m0/s1
InChIKeyXRVGYXMTPUOWHQ-QMMMGPOBSA-N
XLogP0.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6S)-6-(4-chlorophenyl)-1,3-diazinane-2,4-dione
CID 2097974
(4S)-4-(4-aminophenyl)azetidin-2-one
CID 142449189
3-(4-aminophenyl)piperidine-2,6-dione;ethane
CID 177052461
6-[4-(1-cyclopropylpropan-2-ylamino)phenyl]-1,3-diazinane-2,4-dione
CID 167990812
6-[4-[(3-chlorophenyl)methylamino]phenyl]-1,3-diazinane-2,4-dione
CID 154843183
6-(4-hydroxyphenyl)-2-sulfanylidene-1,3-diazinan-4-one
CID 71652067
4-(aziridin-2-yl)aniline
CID 87528388
3-[[4-(2,6-dioxo-1,3-diazinan-4-yl)anilino]methyl]benzonitrile
CID 154843184
6-amino-1,3-diazinane-2,4-dione
CID 20811425
2-(4-aminophenyl)-3-methyl-1,2-dihydropyrrol-5-one
CID 141068352
6-(2-nitrophenyl)-1,3-diazinane-2,4-dione
CID 3883733
6-[4-[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]phenyl]-1,3-diazinane-2,4-dione
CID 154842662

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(4-aminophenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of (6S)-6-(4-aminophenyl)-1,3-diazinane-2,4-dione (CID 730381) is (6S)-6-(4-aminophenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for (6S)-6-(4-aminophenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for (6S)-6-(4-aminophenyl)-1,3-diazinane-2,4-dione is Nc1ccc([C@@H]2CC(=O)NC(=O)N2)cc1.
What is the InChIKey of (6S)-6-(4-aminophenyl)-1,3-diazinane-2,4-dione?
The InChIKey is XRVGYXMTPUOWHQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11N3O2/c11-7-3-1-6(2-4-7)8-5-9(14)13-10(15)12-8/h1-4,8H,5,11H2,(H2,12,13,14,15)/t8-/m0/s1.
What are the key properties of (6S)-6-(4-aminophenyl)-1,3-diazinane-2,4-dione?
(6S)-6-(4-aminophenyl)-1,3-diazinane-2,4-dione has a molecular weight of 205.22 g/mol, XLogP of 0.54, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(4-aminophenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 730381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).