6-tert-butyl-2-(dimethylamino)-1H-pyrimidine-4-thione

C10H17N3S — CID 106475832

IUPAC6-tert-butyl-2-(dimethylamino)-1H-pyrimidine-4-thione
SMILESCN(C)c1nc(=S)cc(C(C)(C)C)[nH]1
InChIInChI=1S/C10H17N3S/c1-10(2,3)7-6-8(14)12-9(11-7)13(4)5/h6H,1-5H3,(H,11,12,14)
InChIKeyLIMMQDAEAYZIHK-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.50
Rot. Bonds1

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

6-tert-butyl-2-(dimethylamino)-1H-pyrimidine-4-thione (PubChem CID 106475832) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 6-tert-butyl-2-(dimethylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-tert-butyl-2-(dimethylamino)-1H-pyrimidine-4-thione
PubChem CID106475832
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name6-tert-butyl-2-(dimethylamino)-1H-pyrimidine-4-thione
SMILESCN(C)c1nc(=S)cc(C(C)(C)C)[nH]1
InChIInChI=1S/C10H17N3S/c1-10(2,3)7-6-8(14)12-9(11-7)13(4)5/h6H,1-5H3,(H,11,12,14)
InChIKeyLIMMQDAEAYZIHK-UHFFFAOYSA-N
XLogP2.50
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.50
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

6-Tert-butyl-2-pyrrolidin-1-ylpyrimidine-4-thiol
CID 33701674
2-(dimethylamino)-6-propyl-1H-pyrimidine-4-thione
CID 106475070
2-(diethylamino)-6-propyl-1H-pyrimidine-4-thione
CID 106475190
2-(dimethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475326
2-(diethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475443
6-tert-butyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106475804
2-(azepan-1-yl)-6-tert-butyl-1H-pyrimidine-4-thione
CID 106475831
6-tert-butyl-1H-pyrimidine-4-thione
CID 106475912
6-tert-butyl-2-(diethylamino)-1H-pyrimidine-4-thione
CID 106475950
2-(dimethylamino)-6-ethyl-1H-pyrimidine-4-thione
CID 106476081
2-(diethylamino)-6-ethyl-1H-pyrimidine-4-thione
CID 106476197
2-(dimethylamino)-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106478109

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(dimethylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 6-tert-butyl-2-(dimethylamino)-1H-pyrimidine-4-thione (CID 106475832) is 6-tert-butyl-2-(dimethylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-tert-butyl-2-(dimethylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-tert-butyl-2-(dimethylamino)-1H-pyrimidine-4-thione is CN(C)c1nc(=S)cc(C(C)(C)C)[nH]1.
What is the InChIKey of 6-tert-butyl-2-(dimethylamino)-1H-pyrimidine-4-thione?
The InChIKey is LIMMQDAEAYZIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-10(2,3)7-6-8(14)12-9(11-7)13(4)5/h6H,1-5H3,(H,11,12,14).
What are the key properties of 6-tert-butyl-2-(dimethylamino)-1H-pyrimidine-4-thione?
6-tert-butyl-2-(dimethylamino)-1H-pyrimidine-4-thione has a molecular weight of 211.33 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(dimethylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).