4-(methylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione

C7H12N4S — CID 83872007

IUPAC4-(methylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione
SMILESCNCc1cc(NC)nc(=S)[nH]1
InChIInChI=1S/C7H12N4S/c1-8-4-5-3-6(9-2)11-7(12)10-5/h3,8H,4H2,1-2H3,(H2,9,10,11,12)
InChIKeyFJIOULWWWAWGRG-UHFFFAOYSA-N
MW184.27 g/mol
LogP0.90
Rot. Bonds3

About 4-(methylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione

4-(methylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione (PubChem CID 83872007) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 4-(methylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name4-(methylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione
PubChem CID83872007
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name4-(methylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione
SMILESCNCc1cc(NC)nc(=S)[nH]1
InChIInChI=1S/C7H12N4S/c1-8-4-5-3-6(9-2)11-7(12)10-5/h3,8H,4H2,1-2H3,(H2,9,10,11,12)
InChIKeyFJIOULWWWAWGRG-UHFFFAOYSA-N
XLogP0.90
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione?
The IUPAC name of 4-(methylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione (CID 83872007) is 4-(methylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione.
What is the SMILES notation for 4-(methylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione?
The canonical SMILES for 4-(methylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione is CNCc1cc(NC)nc(=S)[nH]1.
What is the InChIKey of 4-(methylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione?
The InChIKey is FJIOULWWWAWGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-8-4-5-3-6(9-2)11-7(12)10-5/h3,8H,4H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 4-(methylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione?
4-(methylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione has a molecular weight of 184.27 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione is sourced from PubChem (CID 83872007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).