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

C11H19N3S — CID 106475661

IUPAC2-[2-(diethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione
SMILESCCN(CC)CCc1nc(=S)cc(C)[nH]1
InChIInChI=1S/C11H19N3S/c1-4-14(5-2)7-6-10-12-9(3)8-11(15)13-10/h8H,4-7H2,1-3H3,(H,12,13,15)
InChIKeyZVAWTQGVOPHFHN-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.33
Rot. Bonds5

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

2-[2-(diethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106475661) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione
PubChem CID106475661
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-[2-(diethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione
SMILESCCN(CC)CCc1nc(=S)cc(C)[nH]1
InChIInChI=1S/C11H19N3S/c1-4-14(5-2)7-6-10-12-9(3)8-11(15)13-10/h8H,4-7H2,1-3H3,(H,12,13,15)
InChIKeyZVAWTQGVOPHFHN-UHFFFAOYSA-N
XLogP2.33
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.33
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-Isopropyl-6-methylpyrimidine-4-thiol
CID 7131471
2-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 17606387
6-methyl-2-propyl-1H-pyrimidine-4-thione
CID 17606395
6-{[3-(dimethylamino)propyl]amino}-4-methylpyrimidine-2(1H)-thione
CID 53491188
2-[2-(diethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475148
2-[2-(dimethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475169
2-[2-(diethylamino)ethyl]-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475406
2-[2-(dimethylamino)ethyl]-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475424
2-(1,4-dimethylpiperazin-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475646
2-[2-(dimethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione
CID 106475678
2-[(dimethylamino)methyl]-6-methyl-1H-pyrimidine-4-thione
CID 106475711
2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-1H-pyrimidine-4-thione
CID 106475718

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-[2-(diethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione (CID 106475661) is 2-[2-(diethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione is CCN(CC)CCc1nc(=S)cc(C)[nH]1.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is ZVAWTQGVOPHFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-4-14(5-2)7-6-10-12-9(3)8-11(15)13-10/h8H,4-7H2,1-3H3,(H,12,13,15).
What are the key properties of 2-[2-(diethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione?
2-[2-(diethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 225.36 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).