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

C9H15N3S — CID 82457629

IUPAC6-(methylamino)-2-(2-methylpropyl)-1H-pyrimidine-4-thione
SMILESCNc1cc(=S)nc(CC(C)C)[nH]1
InChIInChI=1S/C9H15N3S/c1-6(2)4-8-11-7(10-3)5-9(13)12-8/h5-6H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyADZZOCRMBCZZPL-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.38
Rot. Bonds3

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

6-(methylamino)-2-(2-methylpropyl)-1H-pyrimidine-4-thione (PubChem CID 82457629) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 6-(methylamino)-2-(2-methylpropyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(methylamino)-2-(2-methylpropyl)-1H-pyrimidine-4-thione
PubChem CID82457629
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name6-(methylamino)-2-(2-methylpropyl)-1H-pyrimidine-4-thione
SMILESCNc1cc(=S)nc(CC(C)C)[nH]1
InChIInChI=1S/C9H15N3S/c1-6(2)4-8-11-7(10-3)5-9(13)12-8/h5-6H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyADZZOCRMBCZZPL-UHFFFAOYSA-N
XLogP2.38
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.38
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)-2-(2-methylpropyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(methylamino)-2-(2-methylpropyl)-1H-pyrimidine-4-thione (CID 82457629) is 6-(methylamino)-2-(2-methylpropyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(methylamino)-2-(2-methylpropyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(methylamino)-2-(2-methylpropyl)-1H-pyrimidine-4-thione is CNc1cc(=S)nc(CC(C)C)[nH]1.
What is the InChIKey of 6-(methylamino)-2-(2-methylpropyl)-1H-pyrimidine-4-thione?
The InChIKey is ADZZOCRMBCZZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-6(2)4-8-11-7(10-3)5-9(13)12-8/h5-6H,4H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 6-(methylamino)-2-(2-methylpropyl)-1H-pyrimidine-4-thione?
6-(methylamino)-2-(2-methylpropyl)-1H-pyrimidine-4-thione has a molecular weight of 197.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-2-(2-methylpropyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).