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

C11H20N4S — CID 82457291

IUPAC6-[2-(dimethylamino)ethylamino]-2-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1nc(=S)cc(NCCN(C)C)[nH]1
InChIInChI=1S/C11H20N4S/c1-8(2)11-13-9(7-10(16)14-11)12-5-6-15(3)4/h7-8H,5-6H2,1-4H3,(H2,12,13,14,16)
InChIKeyPAAGYODKSKDPIS-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.24
Rot. Bonds5

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

6-[2-(dimethylamino)ethylamino]-2-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 82457291) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethylamino]-2-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethylamino]-2-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID82457291
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name6-[2-(dimethylamino)ethylamino]-2-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1nc(=S)cc(NCCN(C)C)[nH]1
InChIInChI=1S/C11H20N4S/c1-8(2)11-13-9(7-10(16)14-11)12-5-6-15(3)4/h7-8H,5-6H2,1-4H3,(H2,12,13,14,16)
InChIKeyPAAGYODKSKDPIS-UHFFFAOYSA-N
XLogP2.24
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethylamino]-2-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-[2-(dimethylamino)ethylamino]-2-propan-2-yl-1H-pyrimidine-4-thione (CID 82457291) is 6-[2-(dimethylamino)ethylamino]-2-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-[2-(dimethylamino)ethylamino]-2-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-[2-(dimethylamino)ethylamino]-2-propan-2-yl-1H-pyrimidine-4-thione is CC(C)c1nc(=S)cc(NCCN(C)C)[nH]1.
What is the InChIKey of 6-[2-(dimethylamino)ethylamino]-2-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is PAAGYODKSKDPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-8(2)11-13-9(7-10(16)14-11)12-5-6-15(3)4/h7-8H,5-6H2,1-4H3,(H2,12,13,14,16).
What are the key properties of 6-[2-(dimethylamino)ethylamino]-2-propan-2-yl-1H-pyrimidine-4-thione?
6-[2-(dimethylamino)ethylamino]-2-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 240.38 g/mol, XLogP of 2.24, 5 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-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).