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

C9H15N3S — CID 106475678

IUPAC2-[2-(dimethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(CCN(C)C)[nH]1
InChIInChI=1S/C9H15N3S/c1-7-6-9(13)11-8(10-7)4-5-12(2)3/h6H,4-5H2,1-3H3,(H,10,11,13)
InChIKeyDLXVMBMFXGSAAR-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.55
Rot. Bonds3

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

2-[2-(dimethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106475678) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione
PubChem CID106475678
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name2-[2-(dimethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(CCN(C)C)[nH]1
InChIInChI=1S/C9H15N3S/c1-7-6-9(13)11-8(10-7)4-5-12(2)3/h6H,4-5H2,1-3H3,(H,10,11,13)
InChIKeyDLXVMBMFXGSAAR-UHFFFAOYSA-N
XLogP1.55
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(dimethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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-(diethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione
CID 106475661
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
6-tert-butyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidine-4-thione
CID 106475929

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione (CID 106475678) is 2-[2-(dimethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione is Cc1cc(=S)nc(CCN(C)C)[nH]1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is DLXVMBMFXGSAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-7-6-9(13)11-8(10-7)4-5-12(2)3/h6H,4-5H2,1-3H3,(H,10,11,13).
What are the key properties of 2-[2-(dimethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione?
2-[2-(dimethylamino)ethyl]-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 197.31 g/mol, XLogP of 1.55, 3 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-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).