1-amino-6-hydroxy-4,6-dimethyl-1,3-diazinane-2-thione

C6H13N3OS — CID 132595391

IUPAC1-amino-6-hydroxy-4,6-dimethyl-1,3-diazinane-2-thione
SMILESCC1CC(C)(O)N(N)C(=S)N1
InChIInChI=1S/C6H13N3OS/c1-4-3-6(2,10)9(7)5(11)8-4/h4,10H,3,7H2,1-2H3,(H,8,11)
InChIKeyMJXGYVIBOIITTR-UHFFFAOYSA-N
MW175.26 g/mol
LogP-0.46
Rot. Bonds

About 1-amino-6-hydroxy-4,6-dimethyl-1,3-diazinane-2-thione

1-amino-6-hydroxy-4,6-dimethyl-1,3-diazinane-2-thione (PubChem CID 132595391) has the molecular formula C6H13N3OS and a molecular weight of 175.26 g/mol. Its IUPAC name is 1-amino-6-hydroxy-4,6-dimethyl-1,3-diazinane-2-thione.

Molecular Properties

Compound Name1-amino-6-hydroxy-4,6-dimethyl-1,3-diazinane-2-thione
PubChem CID132595391
Molecular FormulaC6H13N3OS
Molecular Weight175.26 g/mol
Exact Mass175.08
IUPAC Name1-amino-6-hydroxy-4,6-dimethyl-1,3-diazinane-2-thione
SMILESCC1CC(C)(O)N(N)C(=S)N1
InChIInChI=1S/C6H13N3OS/c1-4-3-6(2,10)9(7)5(11)8-4/h4,10H,3,7H2,1-2H3,(H,8,11)
InChIKeyMJXGYVIBOIITTR-UHFFFAOYSA-N
XLogP-0.46
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 132595393
(2R,6S)-2,4,6-trimethylpiperidin-4-ol
CID 168826968
6-hydroxy-4-methyl-1-phenyl-1,3-diazinane-2-thione
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(1S,5S)-1-hydroxy-6-azabicyclo[3.2.1]octane-7-thione
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(2S,4S)-4-(2,2-dimethylpropyl)-2,4-dimethyl-2,3-dihydro-1H-quinoline
CID 139220190
(6S)-6-hydroxy-1-(2-hydroxyethyl)-4,4,6-trimethyl-1,3-diazinane-2-thione
CID 95987321
CID 166075419
CID 166075419
2-methylcyclopropane-1,1-diol
CID 68932442
3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 1-amino-6-hydroxy-4,6-dimethyl-1,3-diazinane-2-thione?
The IUPAC name of 1-amino-6-hydroxy-4,6-dimethyl-1,3-diazinane-2-thione (CID 132595391) is 1-amino-6-hydroxy-4,6-dimethyl-1,3-diazinane-2-thione.
What is the SMILES notation for 1-amino-6-hydroxy-4,6-dimethyl-1,3-diazinane-2-thione?
The canonical SMILES for 1-amino-6-hydroxy-4,6-dimethyl-1,3-diazinane-2-thione is CC1CC(C)(O)N(N)C(=S)N1.
What is the InChIKey of 1-amino-6-hydroxy-4,6-dimethyl-1,3-diazinane-2-thione?
The InChIKey is MJXGYVIBOIITTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3OS/c1-4-3-6(2,10)9(7)5(11)8-4/h4,10H,3,7H2,1-2H3,(H,8,11).
What are the key properties of 1-amino-6-hydroxy-4,6-dimethyl-1,3-diazinane-2-thione?
1-amino-6-hydroxy-4,6-dimethyl-1,3-diazinane-2-thione has a molecular weight of 175.26 g/mol, XLogP of -0.46, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-hydroxy-4,6-dimethyl-1,3-diazinane-2-thione is sourced from PubChem (CID 132595391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).