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

C9H16N4S — CID 82457168

IUPAC6-[2-(dimethylamino)ethylamino]-2-methyl-1H-pyrimidine-4-thione
SMILESCc1nc(=S)cc(NCCN(C)C)[nH]1
InChIInChI=1S/C9H16N4S/c1-7-11-8(6-9(14)12-7)10-4-5-13(2)3/h6H,4-5H2,1-3H3,(H2,10,11,12,14)
InChIKeyFPNVVXKOQSTITO-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.42
Rot. Bonds4

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

6-[2-(dimethylamino)ethylamino]-2-methyl-1H-pyrimidine-4-thione (PubChem CID 82457168) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethylamino]-2-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethylamino]-2-methyl-1H-pyrimidine-4-thione
PubChem CID82457168
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name6-[2-(dimethylamino)ethylamino]-2-methyl-1H-pyrimidine-4-thione
SMILESCc1nc(=S)cc(NCCN(C)C)[nH]1
InChIInChI=1S/C9H16N4S/c1-7-11-8(6-9(14)12-7)10-4-5-13(2)3/h6H,4-5H2,1-3H3,(H2,10,11,12,14)
InChIKeyFPNVVXKOQSTITO-UHFFFAOYSA-N
XLogP1.42
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-6-(ethylamino)-1-methylpyrimidine-2-thione
CID 11819733
5-Amino-6-(diethylamino)-2-methylpyrimidine-4(1H)-thione
CID 13293305
6-(dimethylamino)-2-methyl-1H-pyrimidine-4-thione;ethane;prop-1-ene
CID 143033433
6-[2-(diethylamino)ethylamino]-1H-pyrimidine-4-thione
CID 82457083
6-[3-(dimethylamino)propylamino]-1H-pyrimidine-4-thione
CID 82457102
6-[2-(dimethylamino)ethylamino]-1H-pyrimidine-4-thione
CID 82457104
2-methyl-6-(methylamino)-1H-pyrimidine-4-thione
CID 82457140
6-(ethylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457141
2-methyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457142
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

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethylamino]-2-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-[2-(dimethylamino)ethylamino]-2-methyl-1H-pyrimidine-4-thione (CID 82457168) is 6-[2-(dimethylamino)ethylamino]-2-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-[2-(dimethylamino)ethylamino]-2-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-[2-(dimethylamino)ethylamino]-2-methyl-1H-pyrimidine-4-thione is Cc1nc(=S)cc(NCCN(C)C)[nH]1.
What is the InChIKey of 6-[2-(dimethylamino)ethylamino]-2-methyl-1H-pyrimidine-4-thione?
The InChIKey is FPNVVXKOQSTITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-7-11-8(6-9(14)12-7)10-4-5-13(2)3/h6H,4-5H2,1-3H3,(H2,10,11,12,14).
What are the key properties of 6-[2-(dimethylamino)ethylamino]-2-methyl-1H-pyrimidine-4-thione?
6-[2-(dimethylamino)ethylamino]-2-methyl-1H-pyrimidine-4-thione has a molecular weight of 212.32 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethylamino]-2-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).