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

C14H26N4S — CID 82457222

IUPAC6-[4-(diethylamino)butylamino]-2-ethyl-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)cc(NCCCCN(CC)CC)[nH]1
InChIInChI=1S/C14H26N4S/c1-4-12-16-13(11-14(19)17-12)15-9-7-8-10-18(5-2)6-3/h11H,4-10H2,1-3H3,(H2,15,16,17,19)
InChIKeyHYHRSUWMYQMOTD-UHFFFAOYSA-N
MW282.46 g/mol
LogP3.24
Rot. Bonds9

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

6-[4-(diethylamino)butylamino]-2-ethyl-1H-pyrimidine-4-thione (PubChem CID 82457222) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is 6-[4-(diethylamino)butylamino]-2-ethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-[4-(diethylamino)butylamino]-2-ethyl-1H-pyrimidine-4-thione
PubChem CID82457222
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC Name6-[4-(diethylamino)butylamino]-2-ethyl-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)cc(NCCCCN(CC)CC)[nH]1
InChIInChI=1S/C14H26N4S/c1-4-12-16-13(11-14(19)17-12)15-9-7-8-10-18(5-2)6-3/h11H,4-10H2,1-3H3,(H2,15,16,17,19)
InChIKeyHYHRSUWMYQMOTD-UHFFFAOYSA-N
XLogP3.24
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[4-(diethylamino)butylamino]-2-ethyl-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

5-amino-6-(dibutylamino)-2-methyl-1H-pyrimidine-4-thione
CID 20085382
2-Amino-6-(butylamino)pyrimidine-4(1H)-thione
CID 3668605
6-[4-(diethylamino)butylamino]-1H-pyrimidine-4-thione
CID 82457096
6-[3-(dimethylamino)propylamino]-1H-pyrimidine-4-thione
CID 82457102
6-[3-(diethylamino)propylamino]-1H-pyrimidine-4-thione
CID 82457103
6-(ethylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457141
6-(hexylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457144
6-[2-(diethylamino)ethylamino]-2-methyl-1H-pyrimidine-4-thione
CID 82457147
6-(butylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457151
6-[4-(diethylamino)butylamino]-2-methyl-1H-pyrimidine-4-thione
CID 82457160
2-methyl-6-(4-pyrrolidin-1-ylbutylamino)-1H-pyrimidine-4-thione
CID 82457161
6-[3-(dimethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione
CID 82457166

Frequently Asked Questions

What is the IUPAC name of 6-[4-(diethylamino)butylamino]-2-ethyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-[4-(diethylamino)butylamino]-2-ethyl-1H-pyrimidine-4-thione (CID 82457222) is 6-[4-(diethylamino)butylamino]-2-ethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-[4-(diethylamino)butylamino]-2-ethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-[4-(diethylamino)butylamino]-2-ethyl-1H-pyrimidine-4-thione is CCc1nc(=S)cc(NCCCCN(CC)CC)[nH]1.
What is the InChIKey of 6-[4-(diethylamino)butylamino]-2-ethyl-1H-pyrimidine-4-thione?
The InChIKey is HYHRSUWMYQMOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-4-12-16-13(11-14(19)17-12)15-9-7-8-10-18(5-2)6-3/h11H,4-10H2,1-3H3,(H2,15,16,17,19).
What are the key properties of 6-[4-(diethylamino)butylamino]-2-ethyl-1H-pyrimidine-4-thione?
6-[4-(diethylamino)butylamino]-2-ethyl-1H-pyrimidine-4-thione has a molecular weight of 282.46 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(diethylamino)butylamino]-2-ethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).