6-[3-(diethylamino)propylamino]-1H-pyrimidine-4-thione

C11H20N4S — CID 82457103

IUPAC6-[3-(diethylamino)propylamino]-1H-pyrimidine-4-thione
SMILESCCN(CC)CCCNc1cc(=S)nc[nH]1
InChIInChI=1S/C11H20N4S/c1-3-15(4-2)7-5-6-12-10-8-11(16)14-9-13-10/h8-9H,3-7H2,1-2H3,(H2,12,13,14,16)
InChIKeyHCEDXOIKQGHZPG-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.28
Rot. Bonds7

About 6-[3-(diethylamino)propylamino]-1H-pyrimidine-4-thione

6-[3-(diethylamino)propylamino]-1H-pyrimidine-4-thione (PubChem CID 82457103) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 6-[3-(diethylamino)propylamino]-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-[3-(diethylamino)propylamino]-1H-pyrimidine-4-thione
PubChem CID82457103
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name6-[3-(diethylamino)propylamino]-1H-pyrimidine-4-thione
SMILESCCN(CC)CCCNc1cc(=S)nc[nH]1
InChIInChI=1S/C11H20N4S/c1-3-15(4-2)7-5-6-12-10-8-11(16)14-9-13-10/h8-9H,3-7H2,1-2H3,(H2,12,13,14,16)
InChIKeyHCEDXOIKQGHZPG-UHFFFAOYSA-N
XLogP2.28
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.28
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'}

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Related Compounds

2-amino-6-(propylamino)-1H-pyrimidine-4-thione
CID 3720756
2-amino-6-(ethylamino)-1H-pyrimidine-4-thione
CID 4162666
N'-(3-ethyl-2,6-dihydro-1H-pyrimidin-4-yl)-N,N-dimethylmethanimidamide
CID 141139039
2-Amino-6-(butylamino)pyrimidine-4(1H)-thione
CID 3668605
6-(ethylamino)-1H-pyrimidine-4-thione
CID 82457077
6-(hexylamino)-1H-pyrimidine-4-thione
CID 82457080
6-[2-(diethylamino)ethylamino]-1H-pyrimidine-4-thione
CID 82457083
6-(butylamino)-1H-pyrimidine-4-thione
CID 82457087
6-[4-(diethylamino)butylamino]-1H-pyrimidine-4-thione
CID 82457096
6-(4-pyrrolidin-1-ylbutylamino)-1H-pyrimidine-4-thione
CID 82457097
6-[3-(dimethylamino)propylamino]-1H-pyrimidine-4-thione
CID 82457102
6-[2-(dimethylamino)ethylamino]-1H-pyrimidine-4-thione
CID 82457104

Frequently Asked Questions

What is the IUPAC name of 6-[3-(diethylamino)propylamino]-1H-pyrimidine-4-thione?
The IUPAC name of 6-[3-(diethylamino)propylamino]-1H-pyrimidine-4-thione (CID 82457103) is 6-[3-(diethylamino)propylamino]-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-[3-(diethylamino)propylamino]-1H-pyrimidine-4-thione?
The canonical SMILES for 6-[3-(diethylamino)propylamino]-1H-pyrimidine-4-thione is CCN(CC)CCCNc1cc(=S)nc[nH]1.
What is the InChIKey of 6-[3-(diethylamino)propylamino]-1H-pyrimidine-4-thione?
The InChIKey is HCEDXOIKQGHZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-3-15(4-2)7-5-6-12-10-8-11(16)14-9-13-10/h8-9H,3-7H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 6-[3-(diethylamino)propylamino]-1H-pyrimidine-4-thione?
6-[3-(diethylamino)propylamino]-1H-pyrimidine-4-thione has a molecular weight of 240.38 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(diethylamino)propylamino]-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).