2-(dimethylamino)-6-ethyl-1H-pyrimidine-4-thione

C8H13N3S — CID 106476081

IUPAC2-(dimethylamino)-6-ethyl-1H-pyrimidine-4-thione
SMILESCCc1cc(=S)nc(N(C)C)[nH]1
InChIInChI=1S/C8H13N3S/c1-4-6-5-7(12)10-8(9-6)11(2)3/h5H,4H2,1-3H3,(H,9,10,12)
InChIKeyLKOJRCJWAFYFCP-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.77
Rot. Bonds2

About 2-(dimethylamino)-6-ethyl-1H-pyrimidine-4-thione

2-(dimethylamino)-6-ethyl-1H-pyrimidine-4-thione (PubChem CID 106476081) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-(dimethylamino)-6-ethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(dimethylamino)-6-ethyl-1H-pyrimidine-4-thione
PubChem CID106476081
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name2-(dimethylamino)-6-ethyl-1H-pyrimidine-4-thione
SMILESCCc1cc(=S)nc(N(C)C)[nH]1
InChIInChI=1S/C8H13N3S/c1-4-6-5-7(12)10-8(9-6)11(2)3/h5H,4H2,1-3H3,(H,9,10,12)
InChIKeyLKOJRCJWAFYFCP-UHFFFAOYSA-N
XLogP1.77
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Pyrimidinamine, 1,6-dihydro-N,N,4,6,6-pentamethyl-
CID 157034
2-(dimethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 21488402
2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione
CID 21488478
6-ethyl-1H-pyrimidine-4-thione
CID 61236035
6-methyl-2-(methylamino)-1H-pyrimidine-4-thione
CID 17606465
6-propyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106475047
2-(dimethylamino)-6-propyl-1H-pyrimidine-4-thione
CID 106475070
2-(diethylamino)-6-propyl-1H-pyrimidine-4-thione
CID 106475190
6-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106475303
2-(dimethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475326
2-(diethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475443
2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione
CID 106475698

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-ethyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(dimethylamino)-6-ethyl-1H-pyrimidine-4-thione (CID 106476081) is 2-(dimethylamino)-6-ethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(dimethylamino)-6-ethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(dimethylamino)-6-ethyl-1H-pyrimidine-4-thione is CCc1cc(=S)nc(N(C)C)[nH]1.
What is the InChIKey of 2-(dimethylamino)-6-ethyl-1H-pyrimidine-4-thione?
The InChIKey is LKOJRCJWAFYFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-4-6-5-7(12)10-8(9-6)11(2)3/h5H,4H2,1-3H3,(H,9,10,12).
What are the key properties of 2-(dimethylamino)-6-ethyl-1H-pyrimidine-4-thione?
2-(dimethylamino)-6-ethyl-1H-pyrimidine-4-thione has a molecular weight of 183.28 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-ethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).