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

C10H17N3S — CID 106481295

IUPAC2-(dimethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
SMILESCC(C)Cc1cc(=S)nc(N(C)C)[nH]1
InChIInChI=1S/C10H17N3S/c1-7(2)5-8-6-9(14)12-10(11-8)13(3)4/h6-7H,5H2,1-4H3,(H,11,12,14)
InChIKeyZTOJXZFVSYCCFR-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.40
Rot. Bonds3

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

2-(dimethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione (PubChem CID 106481295) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-(dimethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(dimethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
PubChem CID106481295
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name2-(dimethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
SMILESCC(C)Cc1cc(=S)nc(N(C)C)[nH]1
InChIInChI=1S/C10H17N3S/c1-7(2)5-8-6-9(14)12-10(11-8)13(3)4/h6-7H,5H2,1-4H3,(H,11,12,14)
InChIKeyZTOJXZFVSYCCFR-UHFFFAOYSA-N
XLogP2.40
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.40
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-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-(azepan-1-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475325
2-(dimethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475326
2-piperidin-1-yl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475327
2-(diethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475443
6-tert-butyl-2-(dimethylamino)-1H-pyrimidine-4-thione
CID 106475832
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

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-(dimethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione (CID 106481295) is 2-(dimethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(dimethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(dimethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione is CC(C)Cc1cc(=S)nc(N(C)C)[nH]1.
What is the InChIKey of 2-(dimethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
The InChIKey is ZTOJXZFVSYCCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-7(2)5-8-6-9(14)12-10(11-8)13(3)4/h6-7H,5H2,1-4H3,(H,11,12,14).
What are the key properties of 2-(dimethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
2-(dimethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione has a molecular weight of 211.33 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106481295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).