5,6-dimethyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione

C10H15N3S — CID 106476578

IUPAC5,6-dimethyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(N2CCCC2)nc(=S)c1C
InChIInChI=1S/C10H15N3S/c1-7-8(2)11-10(12-9(7)14)13-5-3-4-6-13/h3-6H2,1-2H3,(H,11,12,14)
InChIKeyWXLSIUDZTLOQHL-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.36
Rot. Bonds1

About 5,6-dimethyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione

5,6-dimethyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione (PubChem CID 106476578) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 5,6-dimethyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5,6-dimethyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
PubChem CID106476578
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name5,6-dimethyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(N2CCCC2)nc(=S)c1C
InChIInChI=1S/C10H15N3S/c1-7-8(2)11-10(12-9(7)14)13-5-3-4-6-13/h3-6H2,1-2H3,(H,11,12,14)
InChIKeyWXLSIUDZTLOQHL-UHFFFAOYSA-N
XLogP2.36
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.36
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-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 33701702
2-(dimethylamino)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476604
2-(diethylamino)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476721
5-ethyl-6-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106476825
6-methyl-5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106477833
6-ethyl-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106478086
5-bromo-6-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106478975

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione?
The IUPAC name of 5,6-dimethyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione (CID 106476578) is 5,6-dimethyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5,6-dimethyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 5,6-dimethyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione is Cc1[nH]c(N2CCCC2)nc(=S)c1C.
What is the InChIKey of 5,6-dimethyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione?
The InChIKey is WXLSIUDZTLOQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-7-8(2)11-10(12-9(7)14)13-5-3-4-6-13/h3-6H2,1-2H3,(H,11,12,14).
What are the key properties of 5,6-dimethyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione?
5,6-dimethyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione has a molecular weight of 209.32 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).