4,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine

C12H19N3S — CID 747183

IUPAC4,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine
SMILESCc1cc(C)nc(SCCN2CCCC2)n1
InChIInChI=1S/C12H19N3S/c1-10-9-11(2)14-12(13-10)16-8-7-15-5-3-4-6-15/h9H,3-8H2,1-2H3
InChIKeyULPLKVKNJUNHHI-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.28
Rot. Bonds4

About 4,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine

4,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine (PubChem CID 747183) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 4,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine
PubChem CID747183
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name4,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine
SMILESCc1cc(C)nc(SCCN2CCCC2)n1
InChIInChI=1S/C12H19N3S/c1-10-9-11(2)14-12(13-10)16-8-7-15-5-3-4-6-15/h9H,3-8H2,1-2H3
InChIKeyULPLKVKNJUNHHI-UHFFFAOYSA-N
XLogP2.28
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine?
The IUPAC name of 4,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine (CID 747183) is 4,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine is Cc1cc(C)nc(SCCN2CCCC2)n1.
What is the InChIKey of 4,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine?
The InChIKey is ULPLKVKNJUNHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-10-9-11(2)14-12(13-10)16-8-7-15-5-3-4-6-15/h9H,3-8H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine?
4,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine has a molecular weight of 237.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine is sourced from PubChem (CID 747183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).