6-[2-(dimethylamino)ethyl]-4,4-dimethyl-1,3-dihydropyrimidine-2-thione

C10H19N3S — CID 130009229

IUPAC6-[2-(dimethylamino)ethyl]-4,4-dimethyl-1,3-dihydropyrimidine-2-thione
SMILESCN(C)CCC1=CC(C)(C)NC(=S)N1
InChIInChI=1S/C10H19N3S/c1-10(2)7-8(5-6-13(3)4)11-9(14)12-10/h7H,5-6H2,1-4H3,(H2,11,12,14)
InChIKeyWXDVTWGPDFJVNJ-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.08
Rot. Bonds3

About 6-[2-(dimethylamino)ethyl]-4,4-dimethyl-1,3-dihydropyrimidine-2-thione

6-[2-(dimethylamino)ethyl]-4,4-dimethyl-1,3-dihydropyrimidine-2-thione (PubChem CID 130009229) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethyl]-4,4-dimethyl-1,3-dihydropyrimidine-2-thione.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethyl]-4,4-dimethyl-1,3-dihydropyrimidine-2-thione
PubChem CID130009229
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name6-[2-(dimethylamino)ethyl]-4,4-dimethyl-1,3-dihydropyrimidine-2-thione
SMILESCN(C)CCC1=CC(C)(C)NC(=S)N1
InChIInChI=1S/C10H19N3S/c1-10(2)7-8(5-6-13(3)4)11-9(14)12-10/h7H,5-6H2,1-4H3,(H2,11,12,14)
InChIKeyWXDVTWGPDFJVNJ-UHFFFAOYSA-N
XLogP1.08
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-Dihydro-1,4,4,6-tetramethyl-2(1H)-pyrimidinethione
CID 2784298
2(1H)-Pyrimidinethione, 1-butyl-3,4-dihydro-4,4,6-trimethyl-
CID 3034503
2(1H)-Pyrimidinethione, 1-cyclohexyl-3,4-dihydro-4,4,6-trimethyl-
CID 3034304
2(1H)-Pyrimidinethione, 3,4-dihydro-1-propyl-4,4,6-trimethyl-
CID 3038099
2(1H)-Pyrimidinethione, 3,4-dihydro-1-isobutyl-4,4,6-trimethyl-
CID 3038413
4,4,6-Trimethyl-1-(prop-2-EN-1-YL)-1,2,3,4-tetrahydropyrimidine-2-thione
CID 686409
6-Isopropyl-3,4-dihydropyrimidine-2(1h)-thione
CID 134612584
3,4,4,5,6-pentamethyl-1H-pyrimidine-2-thione
CID 54268935
1,3,4,6-Tetramethyl-1,4-dihydropyrimidin-1-ium-2-thione chloride
CID 87882203
4,6-Dimethyl-1,3-dipropyl-1,4-dihydropyrimidin-1-ium-2-thione chloride
CID 87882205
1,3-Diethyl-4,6-dimethyl-1,4-dihydropyrimidin-1-ium-2-thione chloride
CID 87882220
3,4,4,6-tetramethyl-3,4-dihydro-2(1H)-pyrimidinethione
CID 1477001

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethyl]-4,4-dimethyl-1,3-dihydropyrimidine-2-thione?
The IUPAC name of 6-[2-(dimethylamino)ethyl]-4,4-dimethyl-1,3-dihydropyrimidine-2-thione (CID 130009229) is 6-[2-(dimethylamino)ethyl]-4,4-dimethyl-1,3-dihydropyrimidine-2-thione.
What is the SMILES notation for 6-[2-(dimethylamino)ethyl]-4,4-dimethyl-1,3-dihydropyrimidine-2-thione?
The canonical SMILES for 6-[2-(dimethylamino)ethyl]-4,4-dimethyl-1,3-dihydropyrimidine-2-thione is CN(C)CCC1=CC(C)(C)NC(=S)N1.
What is the InChIKey of 6-[2-(dimethylamino)ethyl]-4,4-dimethyl-1,3-dihydropyrimidine-2-thione?
The InChIKey is WXDVTWGPDFJVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-10(2)7-8(5-6-13(3)4)11-9(14)12-10/h7H,5-6H2,1-4H3,(H2,11,12,14).
What are the key properties of 6-[2-(dimethylamino)ethyl]-4,4-dimethyl-1,3-dihydropyrimidine-2-thione?
6-[2-(dimethylamino)ethyl]-4,4-dimethyl-1,3-dihydropyrimidine-2-thione has a molecular weight of 213.35 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethyl]-4,4-dimethyl-1,3-dihydropyrimidine-2-thione is sourced from PubChem (CID 130009229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).