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

C6H9N5S — CID 89219226

IUPAC2-amino-6-(methylamino)-5-(methylideneamino)-1H-pyrimidine-4-thione
SMILESC=Nc1c(NC)[nH]c(N)nc1=S
InChIInChI=1S/C6H9N5S/c1-8-3-4(9-2)10-6(7)11-5(3)12/h1H2,2H3,(H4,7,9,10,11,12)
InChIKeyVSFPZDVOPCHMDB-UHFFFAOYSA-N
MW183.24 g/mol
LogP1.10
Rot. Bonds2

About 2-amino-6-(methylamino)-5-(methylideneamino)-1H-pyrimidine-4-thione

2-amino-6-(methylamino)-5-(methylideneamino)-1H-pyrimidine-4-thione (PubChem CID 89219226) has the molecular formula C6H9N5S and a molecular weight of 183.24 g/mol. Its IUPAC name is 2-amino-6-(methylamino)-5-(methylideneamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-amino-6-(methylamino)-5-(methylideneamino)-1H-pyrimidine-4-thione
PubChem CID89219226
Molecular FormulaC6H9N5S
Molecular Weight183.24 g/mol
Exact Mass183.06
IUPAC Name2-amino-6-(methylamino)-5-(methylideneamino)-1H-pyrimidine-4-thione
SMILESC=Nc1c(NC)[nH]c(N)nc1=S
InChIInChI=1S/C6H9N5S/c1-8-3-4(9-2)10-6(7)11-5(3)12/h1H2,2H3,(H4,7,9,10,11,12)
InChIKeyVSFPZDVOPCHMDB-UHFFFAOYSA-N
XLogP1.10
TPSA79.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(methylamino)-5-(methylideneamino)-1H-pyrimidine-4-thione?
The IUPAC name of 2-amino-6-(methylamino)-5-(methylideneamino)-1H-pyrimidine-4-thione (CID 89219226) is 2-amino-6-(methylamino)-5-(methylideneamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-amino-6-(methylamino)-5-(methylideneamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-amino-6-(methylamino)-5-(methylideneamino)-1H-pyrimidine-4-thione is C=Nc1c(NC)[nH]c(N)nc1=S.
What is the InChIKey of 2-amino-6-(methylamino)-5-(methylideneamino)-1H-pyrimidine-4-thione?
The InChIKey is VSFPZDVOPCHMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5S/c1-8-3-4(9-2)10-6(7)11-5(3)12/h1H2,2H3,(H4,7,9,10,11,12).
What are the key properties of 2-amino-6-(methylamino)-5-(methylideneamino)-1H-pyrimidine-4-thione?
2-amino-6-(methylamino)-5-(methylideneamino)-1H-pyrimidine-4-thione has a molecular weight of 183.24 g/mol, XLogP of 1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(methylamino)-5-(methylideneamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 89219226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).