5-butyl-2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione

C11H19N3S — CID 21488435

IUPAC5-butyl-2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione
SMILESCCCCc1c(C)[nH]c(N(C)C)nc1=S
InChIInChI=1S/C11H19N3S/c1-5-6-7-9-8(2)12-11(14(3)4)13-10(9)15/h5-7H2,1-4H3,(H,12,13,15)
InChIKeyBMFIGBULUYEUST-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.86
Rot. Bonds4

About 5-butyl-2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione

5-butyl-2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione (PubChem CID 21488435) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 5-butyl-2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-butyl-2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione
PubChem CID21488435
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name5-butyl-2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione
SMILESCCCCc1c(C)[nH]c(N(C)C)nc1=S
InChIInChI=1S/C11H19N3S/c1-5-6-7-9-8(2)12-11(14(3)4)13-10(9)15/h5-7H2,1-4H3,(H,12,13,15)
InChIKeyBMFIGBULUYEUST-UHFFFAOYSA-N
XLogP2.86
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
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 5-butyl-2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 5-butyl-2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione (CID 21488435) is 5-butyl-2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-butyl-2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-butyl-2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione is CCCCc1c(C)[nH]c(N(C)C)nc1=S.
What is the InChIKey of 5-butyl-2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is BMFIGBULUYEUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-5-6-7-9-8(2)12-11(14(3)4)13-10(9)15/h5-7H2,1-4H3,(H,12,13,15).
What are the key properties of 5-butyl-2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione?
5-butyl-2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 225.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 21488435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).