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

C11H20N4S — CID 53491189

IUPAC4-[2-(diethylamino)ethylamino]-6-methyl-1H-pyrimidine-2-thione
SMILESCCN(CC)CCNc1cc(C)[nH]c(=S)n1
InChIInChI=1S/C11H20N4S/c1-4-15(5-2)7-6-12-10-8-9(3)13-11(16)14-10/h8H,4-7H2,1-3H3,(H2,12,13,14,16)
InChIKeyAROOXJQAACOSCQ-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.20
Rot. Bonds6

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

4-[2-(diethylamino)ethylamino]-6-methyl-1H-pyrimidine-2-thione (PubChem CID 53491189) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethylamino]-6-methyl-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name4-[2-(diethylamino)ethylamino]-6-methyl-1H-pyrimidine-2-thione
PubChem CID53491189
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name4-[2-(diethylamino)ethylamino]-6-methyl-1H-pyrimidine-2-thione
SMILESCCN(CC)CCNc1cc(C)[nH]c(=S)n1
InChIInChI=1S/C11H20N4S/c1-4-15(5-2)7-6-12-10-8-9(3)13-11(16)14-10/h8H,4-7H2,1-3H3,(H2,12,13,14,16)
InChIKeyAROOXJQAACOSCQ-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
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 4-[2-(diethylamino)ethylamino]-6-methyl-1H-pyrimidine-2-thione?
The IUPAC name of 4-[2-(diethylamino)ethylamino]-6-methyl-1H-pyrimidine-2-thione (CID 53491189) is 4-[2-(diethylamino)ethylamino]-6-methyl-1H-pyrimidine-2-thione.
What is the SMILES notation for 4-[2-(diethylamino)ethylamino]-6-methyl-1H-pyrimidine-2-thione?
The canonical SMILES for 4-[2-(diethylamino)ethylamino]-6-methyl-1H-pyrimidine-2-thione is CCN(CC)CCNc1cc(C)[nH]c(=S)n1.
What is the InChIKey of 4-[2-(diethylamino)ethylamino]-6-methyl-1H-pyrimidine-2-thione?
The InChIKey is AROOXJQAACOSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-4-15(5-2)7-6-12-10-8-9(3)13-11(16)14-10/h8H,4-7H2,1-3H3,(H2,12,13,14,16).
What are the key properties of 4-[2-(diethylamino)ethylamino]-6-methyl-1H-pyrimidine-2-thione?
4-[2-(diethylamino)ethylamino]-6-methyl-1H-pyrimidine-2-thione has a molecular weight of 240.38 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethylamino]-6-methyl-1H-pyrimidine-2-thione is sourced from PubChem (CID 53491189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).