6-[3-(dimethylamino)propylamino]-2-ethyl-1H-pyrimidine-4-thione

C11H20N4S — CID 82457228

IUPAC6-[3-(dimethylamino)propylamino]-2-ethyl-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)cc(NCCCN(C)C)[nH]1
InChIInChI=1S/C11H20N4S/c1-4-9-13-10(8-11(16)14-9)12-6-5-7-15(2)3/h8H,4-7H2,1-3H3,(H2,12,13,14,16)
InChIKeyYPLFSUJATPUDHP-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.07
Rot. Bonds6

About 6-[3-(dimethylamino)propylamino]-2-ethyl-1H-pyrimidine-4-thione

6-[3-(dimethylamino)propylamino]-2-ethyl-1H-pyrimidine-4-thione (PubChem CID 82457228) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propylamino]-2-ethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-[3-(dimethylamino)propylamino]-2-ethyl-1H-pyrimidine-4-thione
PubChem CID82457228
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name6-[3-(dimethylamino)propylamino]-2-ethyl-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)cc(NCCCN(C)C)[nH]1
InChIInChI=1S/C11H20N4S/c1-4-9-13-10(8-11(16)14-9)12-6-5-7-15(2)3/h8H,4-7H2,1-3H3,(H2,12,13,14,16)
InChIKeyYPLFSUJATPUDHP-UHFFFAOYSA-N
XLogP2.07
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.07
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

6-(dimethylamino)-2-methyl-1H-pyrimidine-4-thione;ethane;prop-1-ene
CID 143033433
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
2-methyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457142
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
2-methyl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione
CID 82457159
6-[4-(diethylamino)butylamino]-2-methyl-1H-pyrimidine-4-thione
CID 82457160

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propylamino]-2-ethyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-[3-(dimethylamino)propylamino]-2-ethyl-1H-pyrimidine-4-thione (CID 82457228) is 6-[3-(dimethylamino)propylamino]-2-ethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-[3-(dimethylamino)propylamino]-2-ethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-[3-(dimethylamino)propylamino]-2-ethyl-1H-pyrimidine-4-thione is CCc1nc(=S)cc(NCCCN(C)C)[nH]1.
What is the InChIKey of 6-[3-(dimethylamino)propylamino]-2-ethyl-1H-pyrimidine-4-thione?
The InChIKey is YPLFSUJATPUDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-4-9-13-10(8-11(16)14-9)12-6-5-7-15(2)3/h8H,4-7H2,1-3H3,(H2,12,13,14,16).
What are the key properties of 6-[3-(dimethylamino)propylamino]-2-ethyl-1H-pyrimidine-4-thione?
6-[3-(dimethylamino)propylamino]-2-ethyl-1H-pyrimidine-4-thione has a molecular weight of 240.38 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propylamino]-2-ethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).