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

C5H7N3S — CID 23423875

IUPAC6-(methylamino)-1H-pyrimidine-4-thione
SMILESCNc1cc(=S)nc[nH]1
InChIInChI=1S/C5H7N3S/c1-6-4-2-5(9)8-3-7-4/h2-3H,1H3,(H2,6,7,8,9)
InChIKeyLBBGQAJTAJKHNE-UHFFFAOYSA-N
MW141.20 g/mol
LogP1.18
Rot. Bonds1

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

6-(methylamino)-1H-pyrimidine-4-thione (PubChem CID 23423875) has the molecular formula C5H7N3S and a molecular weight of 141.20 g/mol. Its IUPAC name is 6-(methylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(methylamino)-1H-pyrimidine-4-thione
PubChem CID23423875
Molecular FormulaC5H7N3S
Molecular Weight141.20 g/mol
Exact Mass141.04
IUPAC Name6-(methylamino)-1H-pyrimidine-4-thione
SMILESCNc1cc(=S)nc[nH]1
InChIInChI=1S/C5H7N3S/c1-6-4-2-5(9)8-3-7-4/h2-3H,1H3,(H2,6,7,8,9)
InChIKeyLBBGQAJTAJKHNE-UHFFFAOYSA-N
XLogP1.18
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.20
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6-(methylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(methylamino)-1H-pyrimidine-4-thione (CID 23423875) is 6-(methylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(methylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(methylamino)-1H-pyrimidine-4-thione is CNc1cc(=S)nc[nH]1.
What is the InChIKey of 6-(methylamino)-1H-pyrimidine-4-thione?
The InChIKey is LBBGQAJTAJKHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3S/c1-6-4-2-5(9)8-3-7-4/h2-3H,1H3,(H2,6,7,8,9).
What are the key properties of 6-(methylamino)-1H-pyrimidine-4-thione?
6-(methylamino)-1H-pyrimidine-4-thione has a molecular weight of 141.20 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 23423875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).