5-methyl-2-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazole

C13H16N4S — CID 110100411

IUPAC5-methyl-2-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazole
SMILESCc1cc(-c2ncc(C)s2)nc(C2CCCN2)n1
InChIInChI=1S/C13H16N4S/c1-8-6-11(13-15-7-9(2)18-13)17-12(16-8)10-4-3-5-14-10/h6-7,10,14H,3-5H2,1-2H3
InChIKeyGUCPBFAEUXEBGV-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.64
Rot. Bonds2

About 5-methyl-2-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazole

5-methyl-2-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazole (PubChem CID 110100411) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 5-methyl-2-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazole
PubChem CID110100411
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name5-methyl-2-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazole
SMILESCc1cc(-c2ncc(C)s2)nc(C2CCCN2)n1
InChIInChI=1S/C13H16N4S/c1-8-6-11(13-15-7-9(2)18-13)17-12(16-8)10-4-3-5-14-10/h6-7,10,14H,3-5H2,1-2H3
InChIKeyGUCPBFAEUXEBGV-UHFFFAOYSA-N
XLogP2.64
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclohexyl-6-methyl-2-pyrrolidin-2-ylpyrimidine
CID 63319069
4-methyl-6-(2-methylphenyl)-2-pyrrolidin-2-ylpyrimidine
CID 116893348
4-methyl-6-(2-methylpyrazol-3-yl)-2-[(2R)-pyrrolidin-2-yl]pyrimidine
CID 124641631
2-(4,6-dimethyl-2-pyridinyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 114269459
4-methyl-6-(2-methylpropyl)-2-piperidin-2-ylpyrimidine
CID 116893407
6-methyl-2-piperidin-2-yl-N-pyrazin-2-ylpyrimidin-4-amine
CID 175660444
4-methyl-6-[(2S)-pyrrolidin-2-yl]pyrimidin-2-amine
CID 83858445
5-methyl-N-(2-methyl-6-piperidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 175662363
5-methyl-2-piperidin-2-ylpyrimidine
CID 63317257
4,6-dichloro-2-pyrrolidin-2-ylpyrimidine;hydrochloride
CID 155895891
4-methyl-2-[(2R)-piperidin-2-yl]-6-(2-propylpyrazol-3-yl)pyrimidine
CID 124964353
2-(5-methyl-1H-imidazol-2-yl)-6-pyrrolidin-2-ylpyrazine
CID 175662403

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazole?
The IUPAC name of 5-methyl-2-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazole (CID 110100411) is 5-methyl-2-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazole?
The canonical SMILES for 5-methyl-2-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazole is Cc1cc(-c2ncc(C)s2)nc(C2CCCN2)n1.
What is the InChIKey of 5-methyl-2-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazole?
The InChIKey is GUCPBFAEUXEBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-8-6-11(13-15-7-9(2)18-13)17-12(16-8)10-4-3-5-14-10/h6-7,10,14H,3-5H2,1-2H3.
What are the key properties of 5-methyl-2-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazole?
5-methyl-2-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazole has a molecular weight of 260.37 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazole is sourced from PubChem (CID 110100411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).