6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione

C11H17N3S — CID 106478086

IUPAC6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
SMILESCCc1[nH]c(N2CCCC2)nc(=S)c1C
InChIInChI=1S/C11H17N3S/c1-3-9-8(2)10(15)13-11(12-9)14-6-4-5-7-14/h3-7H2,1-2H3,(H,12,13,15)
InChIKeyLMTAERWNHQNJBI-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.61
Rot. Bonds2

About 6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione

6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione (PubChem CID 106478086) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
PubChem CID106478086
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
SMILESCCc1[nH]c(N2CCCC2)nc(=S)c1C
InChIInChI=1S/C11H17N3S/c1-3-9-8(2)10(15)13-11(12-9)14-6-4-5-7-14/h3-7H2,1-2H3,(H,12,13,15)
InChIKeyLMTAERWNHQNJBI-UHFFFAOYSA-N
XLogP2.61
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.61
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-(dimethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 21488402
6-Tert-butyl-2-pyrrolidin-1-ylpyrimidine-4-thiol
CID 33701674
6-propyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106475047
6-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106475303
6-ethyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106476056
5,6-dimethyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106476578
5-ethyl-6-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106476825
2-(azepan-1-yl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476845
5-ethyl-6-methyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 106476846
2-(diethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476970
2-pyrrolidin-1-yl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477081
2-Pyrrolidin-1-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477328

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione (CID 106478086) is 6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione is CCc1[nH]c(N2CCCC2)nc(=S)c1C.
What is the InChIKey of 6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione?
The InChIKey is LMTAERWNHQNJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-3-9-8(2)10(15)13-11(12-9)14-6-4-5-7-14/h3-7H2,1-2H3,(H,12,13,15).
What are the key properties of 6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione?
6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione has a molecular weight of 223.34 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106478086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).