4-(decylamino)-6-methyl-1H-pyrimidine-2-thione

C15H27N3S — CID 53491194

IUPAC4-(decylamino)-6-methyl-1H-pyrimidine-2-thione
SMILESCCCCCCCCCCNc1cc(C)[nH]c(=S)n1
InChIInChI=1S/C15H27N3S/c1-3-4-5-6-7-8-9-10-11-16-14-12-13(2)17-15(19)18-14/h12H,3-11H2,1-2H3,(H2,16,17,18,19)
InChIKeyMASILTVTUMCIPY-UHFFFAOYSA-N
MW281.47 g/mol
LogP5.00
Rot. Bonds10

About 4-(decylamino)-6-methyl-1H-pyrimidine-2-thione

4-(decylamino)-6-methyl-1H-pyrimidine-2-thione (PubChem CID 53491194) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 4-(decylamino)-6-methyl-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name4-(decylamino)-6-methyl-1H-pyrimidine-2-thione
PubChem CID53491194
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name4-(decylamino)-6-methyl-1H-pyrimidine-2-thione
SMILESCCCCCCCCCCNc1cc(C)[nH]c(=S)n1
InChIInChI=1S/C15H27N3S/c1-3-4-5-6-7-8-9-10-11-16-14-12-13(2)17-15(19)18-14/h12H,3-11H2,1-2H3,(H2,16,17,18,19)
InChIKeyMASILTVTUMCIPY-UHFFFAOYSA-N
XLogP5.00
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.47
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(decylamino)-6-methyl-1H-pyrimidine-2-thione?
The IUPAC name of 4-(decylamino)-6-methyl-1H-pyrimidine-2-thione (CID 53491194) is 4-(decylamino)-6-methyl-1H-pyrimidine-2-thione.
What is the SMILES notation for 4-(decylamino)-6-methyl-1H-pyrimidine-2-thione?
The canonical SMILES for 4-(decylamino)-6-methyl-1H-pyrimidine-2-thione is CCCCCCCCCCNc1cc(C)[nH]c(=S)n1.
What is the InChIKey of 4-(decylamino)-6-methyl-1H-pyrimidine-2-thione?
The InChIKey is MASILTVTUMCIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-3-4-5-6-7-8-9-10-11-16-14-12-13(2)17-15(19)18-14/h12H,3-11H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-(decylamino)-6-methyl-1H-pyrimidine-2-thione?
4-(decylamino)-6-methyl-1H-pyrimidine-2-thione has a molecular weight of 281.47 g/mol, XLogP of 5.00, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(decylamino)-6-methyl-1H-pyrimidine-2-thione is sourced from PubChem (CID 53491194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).