6-(2-methylpropyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione

C12H19N3S — CID 106481269

IUPAC6-(2-methylpropyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
SMILESCC(C)Cc1cc(=S)nc(N2CCCC2)[nH]1
InChIInChI=1S/C12H19N3S/c1-9(2)7-10-8-11(16)14-12(13-10)15-5-3-4-6-15/h8-9H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyMNLUWAXDCQECJR-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.94
Rot. Bonds3

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

6-(2-methylpropyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione (PubChem CID 106481269) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 6-(2-methylpropyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(2-methylpropyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
PubChem CID106481269
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name6-(2-methylpropyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
SMILESCC(C)Cc1cc(=S)nc(N2CCCC2)[nH]1
InChIInChI=1S/C12H19N3S/c1-9(2)7-10-8-11(16)14-12(13-10)15-5-3-4-6-15/h8-9H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyMNLUWAXDCQECJR-UHFFFAOYSA-N
XLogP2.94
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.94
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
6-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 33701702
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-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-ethyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106476056
2-(diethylamino)-6-ethyl-1H-pyrimidine-4-thione
CID 106476197
5-ethyl-6-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106476825

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-(2-methylpropyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione (CID 106481269) is 6-(2-methylpropyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(2-methylpropyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(2-methylpropyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione is CC(C)Cc1cc(=S)nc(N2CCCC2)[nH]1.
What is the InChIKey of 6-(2-methylpropyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione?
The InChIKey is MNLUWAXDCQECJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-9(2)7-10-8-11(16)14-12(13-10)15-5-3-4-6-15/h8-9H,3-7H2,1-2H3,(H,13,14,16).
What are the key properties of 6-(2-methylpropyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione?
6-(2-methylpropyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione has a molecular weight of 237.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106481269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).