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

C9H15N3S — CID 106475326

IUPAC2-(dimethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1cc(=S)nc(N(C)C)[nH]1
InChIInChI=1S/C9H15N3S/c1-6(2)7-5-8(13)11-9(10-7)12(3)4/h5-6H,1-4H3,(H,10,11,13)
InChIKeyAIFLGYCCSBZIGT-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.33
Rot. Bonds2

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

2-(dimethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106475326) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 2-(dimethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(dimethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106475326
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name2-(dimethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1cc(=S)nc(N(C)C)[nH]1
InChIInChI=1S/C9H15N3S/c1-6(2)7-5-8(13)11-9(10-7)12(3)4/h5-6H,1-4H3,(H,10,11,13)
InChIKeyAIFLGYCCSBZIGT-UHFFFAOYSA-N
XLogP2.33
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.33
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-(Propan-2-yl)pyrimidine-4-thiol
CID 61240348
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-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
6-ethyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106476056

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(dimethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione (CID 106475326) is 2-(dimethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(dimethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(dimethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione is CC(C)c1cc(=S)nc(N(C)C)[nH]1.
What is the InChIKey of 2-(dimethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is AIFLGYCCSBZIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-6(2)7-5-8(13)11-9(10-7)12(3)4/h5-6H,1-4H3,(H,10,11,13).
What are the key properties of 2-(dimethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione?
2-(dimethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 197.31 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).