6-amino-5-[(methoxyamino)methyl]-1H-pyrimidine-2-thione

C6H10N4OS — CID 174421328

IUPAC6-amino-5-[(methoxyamino)methyl]-1H-pyrimidine-2-thione
SMILESCONCc1cnc(=S)[nH]c1N
InChIInChI=1S/C6H10N4OS/c1-11-9-3-4-2-8-6(12)10-5(4)7/h2,9H,3H2,1H3,(H3,7,8,10,12)
InChIKeyREJLICKTWKCQSH-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.37
Rot. Bonds3

About 6-amino-5-[(methoxyamino)methyl]-1H-pyrimidine-2-thione

6-amino-5-[(methoxyamino)methyl]-1H-pyrimidine-2-thione (PubChem CID 174421328) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is 6-amino-5-[(methoxyamino)methyl]-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-amino-5-[(methoxyamino)methyl]-1H-pyrimidine-2-thione
PubChem CID174421328
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC Name6-amino-5-[(methoxyamino)methyl]-1H-pyrimidine-2-thione
SMILESCONCc1cnc(=S)[nH]c1N
InChIInChI=1S/C6H10N4OS/c1-11-9-3-4-2-8-6(12)10-5(4)7/h2,9H,3H2,1H3,(H3,7,8,10,12)
InChIKeyREJLICKTWKCQSH-UHFFFAOYSA-N
XLogP0.37
TPSA75.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-cyclopropyl-5-[(methoxyamino)methyl]-1H-pyrimidin-2-one
CID 82657252
1-(5-bromo-1H-imidazol-2-yl)-N-methoxymethanamine
CID 126983139
ethyl N-(6-amino-2-sulfanylidene-1H-pyrimidin-5-yl)ethanimidate
CID 130008616
1-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methoxymethanamine
CID 130835408
2-(6-ethyl-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid
CID 84668331
N-methoxy-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanamine
CID 82656453
2-(6-methyl-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid
CID 83817339
5-butyl-6-methyl-1H-pyrimidine-2-thione
CID 154357950
5-(hydroxymethyl)-4-[(methoxyamino)methyl]-2-methylpyridin-3-ol
CID 116686483
N-methoxy-1-quinolin-4-ylmethanamine
CID 79235633
1-(4-chloro-2,5-dimethoxyphenyl)-N-methoxymethanamine
CID 117335514
5-[(methoxyamino)methyl]benzene-1,2,4-triol;hydrochloride
CID 91937662

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(methoxyamino)methyl]-1H-pyrimidine-2-thione?
The IUPAC name of 6-amino-5-[(methoxyamino)methyl]-1H-pyrimidine-2-thione (CID 174421328) is 6-amino-5-[(methoxyamino)methyl]-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-amino-5-[(methoxyamino)methyl]-1H-pyrimidine-2-thione?
The canonical SMILES for 6-amino-5-[(methoxyamino)methyl]-1H-pyrimidine-2-thione is CONCc1cnc(=S)[nH]c1N.
What is the InChIKey of 6-amino-5-[(methoxyamino)methyl]-1H-pyrimidine-2-thione?
The InChIKey is REJLICKTWKCQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS/c1-11-9-3-4-2-8-6(12)10-5(4)7/h2,9H,3H2,1H3,(H3,7,8,10,12).
What are the key properties of 6-amino-5-[(methoxyamino)methyl]-1H-pyrimidine-2-thione?
6-amino-5-[(methoxyamino)methyl]-1H-pyrimidine-2-thione has a molecular weight of 186.24 g/mol, XLogP of 0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(methoxyamino)methyl]-1H-pyrimidine-2-thione is sourced from PubChem (CID 174421328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).