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

C10H17N3S — CID 106476178

IUPAC2-[2-(dimethylamino)ethyl]-6-ethyl-1H-pyrimidine-4-thione
SMILESCCc1cc(=S)nc(CCN(C)C)[nH]1
InChIInChI=1S/C10H17N3S/c1-4-8-7-10(14)12-9(11-8)5-6-13(2)3/h7H,4-6H2,1-3H3,(H,11,12,14)
InChIKeyAAJMBJLOGRYUEO-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.81
Rot. Bonds4

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

2-[2-(dimethylamino)ethyl]-6-ethyl-1H-pyrimidine-4-thione (PubChem CID 106476178) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-6-ethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-6-ethyl-1H-pyrimidine-4-thione
PubChem CID106476178
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name2-[2-(dimethylamino)ethyl]-6-ethyl-1H-pyrimidine-4-thione
SMILESCCc1cc(=S)nc(CCN(C)C)[nH]1
InChIInChI=1S/C10H17N3S/c1-4-8-7-10(14)12-9(11-8)5-6-13(2)3/h7H,4-6H2,1-3H3,(H,11,12,14)
InChIKeyAAJMBJLOGRYUEO-UHFFFAOYSA-N
XLogP1.81
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.81
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 2-[2-(dimethylamino)ethyl]-6-ethyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-6-ethyl-1H-pyrimidine-4-thione (CID 106476178) is 2-[2-(dimethylamino)ethyl]-6-ethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-6-ethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-6-ethyl-1H-pyrimidine-4-thione is CCc1cc(=S)nc(CCN(C)C)[nH]1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-6-ethyl-1H-pyrimidine-4-thione?
The InChIKey is AAJMBJLOGRYUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-4-8-7-10(14)12-9(11-8)5-6-13(2)3/h7H,4-6H2,1-3H3,(H,11,12,14).
What are the key properties of 2-[2-(dimethylamino)ethyl]-6-ethyl-1H-pyrimidine-4-thione?
2-[2-(dimethylamino)ethyl]-6-ethyl-1H-pyrimidine-4-thione has a molecular weight of 211.33 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-6-ethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).