2-[2-[2-(1H-imidazol-2-yl)-6-methylpyrimidin-4-yl]pyrrolidin-3-yl]-1,3-thiazole

C15H16N6S — CID 69351292

IUPAC2-[2-[2-(1H-imidazol-2-yl)-6-methylpyrimidin-4-yl]pyrrolidin-3-yl]-1,3-thiazole
SMILESCc1cc(C2NCCC2c2nccs2)nc(-c2ncc[nH]2)n1
InChIInChI=1S/C15H16N6S/c1-9-8-11(21-14(20-9)13-17-4-5-18-13)12-10(2-3-16-12)15-19-6-7-22-15/h4-8,10,12,16H,2-3H2,1H3,(H,17,18)
InChIKeyPMHDDZRZGRWITJ-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.45
Rot. Bonds3

About 2-[2-[2-(1H-imidazol-2-yl)-6-methylpyrimidin-4-yl]pyrrolidin-3-yl]-1,3-thiazole

2-[2-[2-(1H-imidazol-2-yl)-6-methylpyrimidin-4-yl]pyrrolidin-3-yl]-1,3-thiazole (PubChem CID 69351292) has the molecular formula C15H16N6S and a molecular weight of 312.40 g/mol. Its IUPAC name is 2-[2-[2-(1H-imidazol-2-yl)-6-methylpyrimidin-4-yl]pyrrolidin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[2-(1H-imidazol-2-yl)-6-methylpyrimidin-4-yl]pyrrolidin-3-yl]-1,3-thiazole
PubChem CID69351292
Molecular FormulaC15H16N6S
Molecular Weight312.40 g/mol
Exact Mass312.12
IUPAC Name2-[2-[2-(1H-imidazol-2-yl)-6-methylpyrimidin-4-yl]pyrrolidin-3-yl]-1,3-thiazole
SMILESCc1cc(C2NCCC2c2nccs2)nc(-c2ncc[nH]2)n1
InChIInChI=1S/C15H16N6S/c1-9-8-11(21-14(20-9)13-17-4-5-18-13)12-10(2-3-16-12)15-19-6-7-22-15/h4-8,10,12,16H,2-3H2,1H3,(H,17,18)
InChIKeyPMHDDZRZGRWITJ-UHFFFAOYSA-N
XLogP2.45
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1H-imidazol-2-yl)-6-methylpyrimidin-4-yl]pyrrolidin-3-yl]-1,3-thiazole?
The IUPAC name of 2-[2-[2-(1H-imidazol-2-yl)-6-methylpyrimidin-4-yl]pyrrolidin-3-yl]-1,3-thiazole (CID 69351292) is 2-[2-[2-(1H-imidazol-2-yl)-6-methylpyrimidin-4-yl]pyrrolidin-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-[2-(1H-imidazol-2-yl)-6-methylpyrimidin-4-yl]pyrrolidin-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-[2-(1H-imidazol-2-yl)-6-methylpyrimidin-4-yl]pyrrolidin-3-yl]-1,3-thiazole is Cc1cc(C2NCCC2c2nccs2)nc(-c2ncc[nH]2)n1.
What is the InChIKey of 2-[2-[2-(1H-imidazol-2-yl)-6-methylpyrimidin-4-yl]pyrrolidin-3-yl]-1,3-thiazole?
The InChIKey is PMHDDZRZGRWITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6S/c1-9-8-11(21-14(20-9)13-17-4-5-18-13)12-10(2-3-16-12)15-19-6-7-22-15/h4-8,10,12,16H,2-3H2,1H3,(H,17,18).
What are the key properties of 2-[2-[2-(1H-imidazol-2-yl)-6-methylpyrimidin-4-yl]pyrrolidin-3-yl]-1,3-thiazole?
2-[2-[2-(1H-imidazol-2-yl)-6-methylpyrimidin-4-yl]pyrrolidin-3-yl]-1,3-thiazole has a molecular weight of 312.40 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1H-imidazol-2-yl)-6-methylpyrimidin-4-yl]pyrrolidin-3-yl]-1,3-thiazole is sourced from PubChem (CID 69351292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).