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

C16H18N6S — CID 110099523

IUPAC4-[[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(-c2ncc[nH]2)cc(C2CCCN2Cc2cscn2)n1
InChIInChI=1S/C16H18N6S/c1-11-20-13(7-14(21-11)16-17-4-5-18-16)15-3-2-6-22(15)8-12-9-23-10-19-12/h4-5,7,9-10,15H,2-3,6,8H2,1H3,(H,17,18)
InChIKeyKGEDPBBPWWVTNY-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.97
Rot. Bonds4

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

4-[[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 110099523) has the molecular formula C16H18N6S and a molecular weight of 326.43 g/mol. Its IUPAC name is 4-[[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID110099523
Molecular FormulaC16H18N6S
Molecular Weight326.43 g/mol
Exact Mass326.13
IUPAC Name4-[[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(-c2ncc[nH]2)cc(C2CCCN2Cc2cscn2)n1
InChIInChI=1S/C16H18N6S/c1-11-20-13(7-14(21-11)16-17-4-5-18-16)15-3-2-6-22(15)8-12-9-23-10-19-12/h4-5,7,9-10,15H,2-3,6,8H2,1H3,(H,17,18)
InChIKeyKGEDPBBPWWVTNY-UHFFFAOYSA-N
XLogP2.97
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole (CID 110099523) is 4-[[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole is Cc1nc(-c2ncc[nH]2)cc(C2CCCN2Cc2cscn2)n1.
What is the InChIKey of 4-[[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is KGEDPBBPWWVTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6S/c1-11-20-13(7-14(21-11)16-17-4-5-18-16)15-3-2-6-22(15)8-12-9-23-10-19-12/h4-5,7,9-10,15H,2-3,6,8H2,1H3,(H,17,18).
What are the key properties of 4-[[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
4-[[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 326.43 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 110099523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).