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

C10H9ClN2O2 — CID 2097974

IUPAC(6S)-6-(4-chlorophenyl)-1,3-diazinane-2,4-dione
SMILESO=C1C[C@@H](c2ccc(Cl)cc2)NC(=O)N1
InChIInChI=1S/C10H9ClN2O2/c11-7-3-1-6(2-4-7)8-5-9(14)13-10(15)12-8/h1-4,8H,5H2,(H2,12,13,14,15)/t8-/m0/s1
InChIKeyNAJCDYWRLRNOTN-QMMMGPOBSA-N
MW224.65 g/mol
LogP1.61
Rot. Bonds1

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

(6S)-6-(4-chlorophenyl)-1,3-diazinane-2,4-dione (PubChem CID 2097974) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is (6S)-6-(4-chlorophenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(6S)-6-(4-chlorophenyl)-1,3-diazinane-2,4-dione
PubChem CID2097974
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name(6S)-6-(4-chlorophenyl)-1,3-diazinane-2,4-dione
SMILESO=C1C[C@@H](c2ccc(Cl)cc2)NC(=O)N1
InChIInChI=1S/C10H9ClN2O2/c11-7-3-1-6(2-4-7)8-5-9(14)13-10(15)12-8/h1-4,8H,5H2,(H2,12,13,14,15)/t8-/m0/s1
InChIKeyNAJCDYWRLRNOTN-QMMMGPOBSA-N
XLogP1.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(6S)-6-(4-aminophenyl)-1,3-diazinane-2,4-dione
CID 730381
6-[4-[(3-chlorophenyl)methylamino]phenyl]-1,3-diazinane-2,4-dione
CID 154843183
6-(4-chlorophenyl)diazinan-3-one
CID 139782184
(4S)-4-(4-chlorophenyl)azetidine-2-thione
CID 102306093
(2R)-2-(4-chlorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 86312786
6-[4-(1-cyclopropylpropan-2-ylamino)phenyl]-1,3-diazinane-2,4-dione
CID 167990812
8-(4-chlorophenyl)azocan-2-one
CID 165492296
5-(4-chlorophenyl)thiomorpholin-3-one
CID 105485089
6-(4-hydroxyphenyl)-2-sulfanylidene-1,3-diazinan-4-one
CID 71652067
5,6-bis(4-chlorophenyl)piperazin-2-one
CID 78034573
5-(4-chlorophenyl)-2-methylpyrazolidin-3-one
CID 59098195
3-[[4-(2,6-dioxo-1,3-diazinan-4-yl)anilino]methyl]benzonitrile
CID 154843184

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(4-chlorophenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of (6S)-6-(4-chlorophenyl)-1,3-diazinane-2,4-dione (CID 2097974) is (6S)-6-(4-chlorophenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for (6S)-6-(4-chlorophenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for (6S)-6-(4-chlorophenyl)-1,3-diazinane-2,4-dione is O=C1C[C@@H](c2ccc(Cl)cc2)NC(=O)N1.
What is the InChIKey of (6S)-6-(4-chlorophenyl)-1,3-diazinane-2,4-dione?
The InChIKey is NAJCDYWRLRNOTN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c11-7-3-1-6(2-4-7)8-5-9(14)13-10(15)12-8/h1-4,8H,5H2,(H2,12,13,14,15)/t8-/m0/s1.
What are the key properties of (6S)-6-(4-chlorophenyl)-1,3-diazinane-2,4-dione?
(6S)-6-(4-chlorophenyl)-1,3-diazinane-2,4-dione has a molecular weight of 224.65 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(4-chlorophenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 2097974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).