5-(methylamino)-6-(methylideneamino)-1H-pyrimidine-4-thione

C6H8N4S — CID 123847663

IUPAC5-(methylamino)-6-(methylideneamino)-1H-pyrimidine-4-thione
SMILESC=Nc1[nH]cnc(=S)c1NC
InChIInChI=1S/C6H8N4S/c1-7-4-5(8-2)9-3-10-6(4)11/h3,7H,2H2,1H3,(H,9,10,11)
InChIKeyCAOPUOPRKBLIRO-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.51
Rot. Bonds2

About 5-(methylamino)-6-(methylideneamino)-1H-pyrimidine-4-thione

5-(methylamino)-6-(methylideneamino)-1H-pyrimidine-4-thione (PubChem CID 123847663) has the molecular formula C6H8N4S and a molecular weight of 168.22 g/mol. Its IUPAC name is 5-(methylamino)-6-(methylideneamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-(methylamino)-6-(methylideneamino)-1H-pyrimidine-4-thione
PubChem CID123847663
Molecular FormulaC6H8N4S
Molecular Weight168.22 g/mol
Exact Mass168.05
IUPAC Name5-(methylamino)-6-(methylideneamino)-1H-pyrimidine-4-thione
SMILESC=Nc1[nH]cnc(=S)c1NC
InChIInChI=1S/C6H8N4S/c1-7-4-5(8-2)9-3-10-6(4)11/h3,7H,2H2,1H3,(H,9,10,11)
InChIKeyCAOPUOPRKBLIRO-UHFFFAOYSA-N
XLogP1.51
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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CID 13481192
CID 13481192
CID 24867573
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CID 89219226
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CID 163498451
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CID 168758057
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CID 119097188
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CID 129928274
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CID 149116086
CID 149116086

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-6-(methylideneamino)-1H-pyrimidine-4-thione?
The IUPAC name of 5-(methylamino)-6-(methylideneamino)-1H-pyrimidine-4-thione (CID 123847663) is 5-(methylamino)-6-(methylideneamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-(methylamino)-6-(methylideneamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-(methylamino)-6-(methylideneamino)-1H-pyrimidine-4-thione is C=Nc1[nH]cnc(=S)c1NC.
What is the InChIKey of 5-(methylamino)-6-(methylideneamino)-1H-pyrimidine-4-thione?
The InChIKey is CAOPUOPRKBLIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4S/c1-7-4-5(8-2)9-3-10-6(4)11/h3,7H,2H2,1H3,(H,9,10,11).
What are the key properties of 5-(methylamino)-6-(methylideneamino)-1H-pyrimidine-4-thione?
5-(methylamino)-6-(methylideneamino)-1H-pyrimidine-4-thione has a molecular weight of 168.22 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-6-(methylideneamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 123847663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).