2-(diethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione

C11H19N3S — CID 106476970

IUPAC2-(diethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(N(CC)CC)nc1=S
InChIInChI=1S/C11H19N3S/c1-5-9-8(4)12-11(13-10(9)15)14(6-2)7-3/h5-7H2,1-4H3,(H,12,13,15)
InChIKeyZBDOKRUSJZBBDT-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.86
Rot. Bonds4

About 2-(diethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione

2-(diethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106476970) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-(diethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(diethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
PubChem CID106476970
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-(diethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(N(CC)CC)nc1=S
InChIInChI=1S/C11H19N3S/c1-5-9-8(4)12-11(13-10(9)15)14(6-2)7-3/h5-7H2,1-4H3,(H,12,13,15)
InChIKeyZBDOKRUSJZBBDT-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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Related Compounds

2-Amino-5-ethyl-6-methylpyrimidine-4-thiol
CID 728853
2-(dimethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 21488402
5-butyl-2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione
CID 21488435
2-(diethylamino)-6-propyl-1H-pyrimidine-4-thione
CID 106475190
2-(diethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475443
6-tert-butyl-2-(diethylamino)-1H-pyrimidine-4-thione
CID 106475950
2-(diethylamino)-6-ethyl-1H-pyrimidine-4-thione
CID 106476197
2-(dimethylamino)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476604
2-(diethylamino)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476721
5-ethyl-6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106476824
5-ethyl-6-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106476825
2-(azepan-1-yl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476845

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(diethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione (CID 106476970) is 2-(diethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(diethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(diethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione is CCc1c(C)[nH]c(N(CC)CC)nc1=S.
What is the InChIKey of 2-(diethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is ZBDOKRUSJZBBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-5-9-8(4)12-11(13-10(9)15)14(6-2)7-3/h5-7H2,1-4H3,(H,12,13,15).
What are the key properties of 2-(diethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
2-(diethylamino)-5-ethyl-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 2-(diethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).